SCHEMBL1106841

SCHEMBL1106841

CC(C)Cc1cnn(C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.41
PDE8B O95263 1/20 0.36
MAPT P10636 3/20 0.34
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
LMNA P02545 3/20 0.32
CYP2C9 P11712 2/20 0.32
AKR1C3 P42330 2/20 0.32
CXCR1 P25024 2/20 0.32
CXCR2 P25025 2/20 0.32
ALB P02768 1/20 0.32
ESR1 P03372 1/20 0.32
ALOX5 P09917 1/20 0.32
RARB P10826 1/20 0.32
ADRB3 P13945 1/20 0.32
NFKB1 P19838 1/20 0.32
HTR2A P28223 1/20 0.32
NR1I3 Q14994 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
CXCL8 P10145 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21502007 0.84 JAK2 (0.30)
SCHEMBL24973991 0.84 JAK2 (0.30)
SCHEMBL24974343 0.82 JAK2 (0.36) ACHE
SCHEMBL24973989 0.82 JAK2 (0.36) ACHE
SCHEMBL1161159 0.81 ACHE (0.42) ACHEPDE8BMAPTL3MBTL1PIK3CD
SCHEMBL25604790 0.80
SCHEMBL21743170 0.79 GABRA1 (0.50) ACHEPDE8BMAPTL3MBTL1PIK3CD
SCHEMBL21303995 0.79 ACHE (0.41) ACHEPDE8BMAPTL3MBTL1PIK3CD
SCHEMBL5212545 0.79 ACHE (0.41) ACHEPDE8BMAPTLMNAL3MBTL1
SCHEMBL12026627 0.79 ACHE (0.44) ACHEPDE8BMAPTL3MBTL1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
WO-2023154291-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
US-10689366-B2 Compounds for MALT1 degredation CORNELL UNIVERSITY (US) 2020-06-23 US disclosed
US-20190263785-A1 COMPOUNDS FOR MALT1 DEGRADATION CORNELL UNIVERSITY (US) 2019-08-29 US disclosed
US-20170166555-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS NOVOGEN LIMITED (AU) 2017-06-15 US disclosed
US-8841327-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-09-23 US disclosed
US-8513287-B2 Heterocyclic ring and phosphonoxymethyl group substituted pyridine derivatives and antifungal agent containing same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-20 US disclosed
US-8507530-B2 Pyridine derivatives substituted by heterocyclic ring and phosphonoamino group, and anti-fungal agent containing same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-13 US disclosed
US-20120277439-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND y-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME TANAKA KEIGO (JP) 2012-11-01 US disclosed
US-20100160379-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF TANAKA KEIGO 2010-06-24 US disclosed
US-20100160379-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF TANAKA KEIGO 2010-06-24 US disclosed
US-20100105737-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND gamma-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-29 US disclosed
US-20100105737-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND gamma-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-29 US disclosed
US-7691882-B2 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-06 US disclosed
US-20090298811-A1 BENZIMIDAZOLONE DERIVATIVES PFIZER INC 2009-12-03 US disclosed
US-20090233883-A1 HETEROCYCLIC RING AND PHOSPHONOXYMETHYL GROUP SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO. LTD. (JP) 2009-09-17 US disclosed
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-26 US disclosed
WO-2008032164-A2 BENZIMIDAZOLONE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-03-20 WO disclosed
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100105737-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND gamma-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME ASNS, ERG28, GLUL ACHE 4849/4885PDE8B 4648/4885MAPT 4301/4885
US-20120277439-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND y-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME ASNS, GLUL, IL4I1 ACHE 4797/4885PDE8B 4812/4885MAPT 4078/4885
US-20090233883-A1 HETEROCYCLIC RING AND PHOSPHONOXYMETHYL GROUP SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING SAME MTOR, ERG28, MTMR1 ACHE 4563/4885PDE8B 2039/4885MAPT 1266/4885
US-20090298811-A1 BENZIMIDAZOLONE DERIVATIVES TRPV1, CNR1, CNR2 ACHE 896/4885PDE8B 2034/4885MAPT 1466/4885
US-10689366-B2 Compounds for MALT1 degredation CRBN, NFKB2, NFKB1 ACHE 4491/4885PDE8B 3236/4885MAPT 3211/4885
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME ERG28, H1-2, H1-3 ACHE 4757/4885PDE8B 4105/4885MAPT 3780/4885
US-20170166555-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 ACHE 1026/4885PDE8B 4293/4885MAPT 2167/4885
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells GPI, ERG28, MAN2A1 ACHE 4780/4885PDE8B 4511/4885MAPT 4772/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP ACHE 4657/4885PDE8B 1024/4885MAPT 3935/4885
US-20190263785-A1 COMPOUNDS FOR MALT1 DEGRADATION CRBN, NFKB2, NFKB1 ACHE 4558/4885PDE8B 3189/4885MAPT 2848/4885
US-20100160379-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF ERG28, CBR3, CBR1 ACHE 4792/4885PDE8B 4638/4885MAPT 4438/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP ACHE 4657/4885PDE8B 1024/4885MAPT 3935/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.