SCHEMBL4036232

SCHEMBL4036232

CCNc1ncccc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.54
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
KDM4E B2RXH2 3/20 0.53
L3MBTL1 Q9Y468 5/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
ALOX12 P18054 2/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GRM5 P41594 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL6442879 0.84 KDM4E (0.57) FDPSNPC1RAB9AKDM4EL3MBTL1
SCHEMBL18727144 0.82 FDPS (0.53) FDPSNPC1RAB9AKDM4EL3MBTL1
SCHEMBL6439936 0.81 TLR8 (0.52) FDPSNPC1RAB9AKDM4EL3MBTL1
SCHEMBL7080994 0.79 FDPS (0.54) FDPSNPC1RAB9AKDM4EL3MBTL1
SCHEMBL11962831 0.79 FDPS (0.62) FDPSNPC1RAB9AKDM4EL3MBTL1
SCHEMBL11176979 0.79 FDPS (0.50) FDPSNPC1RAB9AKDM4EL3MBTL1
SCHEMBL8345840 0.79 L3MBTL1 (0.50) FDPSNPC1RAB9AKDM4EL3MBTL1
SCHEMBL15368480 0.78 NPC1 (0.61) FDPSNPC1RAB9AKDM4EL3MBTL1
SCHEMBL3825817 0.78 GRM5 (0.43) KDM4EL3MBTL1MAPTALDH1A1HSD17B10
SCHEMBL11578570 0.78 GRM5 (0.43) KDM4EL3MBTL1MAPTALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203003-A1 Notch Inhibitors and Uses Thereof STEMSYNERGY THERAPEUTICS, INC. 2023-06-29 US disclosed
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 US disclosed
US-9511067-B2 Substituted spiro[piperidine-4,1'-pyrrolo[1,2-a]pyrazine]s as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-06 US disclosed
US-9403839-B2 Pyran-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-08-02 US disclosed
US-20150174127-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-06-25 US disclosed
US-20150005304-A1 Pyran-Spirocyclic Piperidine Amides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-01 US disclosed
US-8916565-B2 Pyrrolopyrazine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-23 US disclosed
WO-2013109521-A1 PYRAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-25 WO disclosed
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-02-07 US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-7846931-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 US disclosed
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
EP-0949230-B1 PROCESSES FOR PRODUCING ALKENYL-SUBSTITUTED AROMATIC HYDROCARBONS SUMITOMO CHEMICAL CO (JP) 2005-07-27 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO disclosed
WO-2002079207-A2 TRI-AND BIDENTATE AMIDO LIGANDS PREPARED BY PALLADIUM0 COUPLING AND METALLATION THEREOF TO FORM METAL-AMIDO CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2002-10-10 WO disclosed
US-6403852-B1 CATALYTIC ALKENYLATION OF ALKYL-SUBSTITUTED AROMATIC HYDROCARBON HAVING HYDROGEN ATOM AT ALPHA-POSITION OF SIDE CHAIN THEREOF WITH CONJUGATED DIENE SUMITOMO CHEMICAL CO., LIMITED (JP) 2002-06-11 US disclosed
EP-0949230-A1 PROCESSES FOR PRODUCING ALKENYL-SUBSTITUTED AROMATIC HYDROCARBONS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-10-13 EP 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 (7 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-20150174127-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 FDPS 1097/4885NPC1 692/4885RAB9A 2212/4885
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 FDPS 1097/4885NPC1 692/4885RAB9A 2212/4885
US-20230203003-A1 Notch Inhibitors and Uses Thereof NOTCH1, NOTCH2, NOTCH4 FDPS 280/4885NPC1 1160/4885RAB9A 1874/4885
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB FDPS 772/4885NPC1 1044/4885RAB9A 741/4885
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB FDPS 708/4885NPC1 1284/4885RAB9A 758/4885
US-20150005304-A1 Pyran-Spirocyclic Piperidine Amides as Modulators of Ion Channels TRPV1, KCNJ2, KCNJ1 FDPS 1832/4885NPC1 657/4885RAB9A 1132/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 FDPS 1626/4885NPC1 3053/4885RAB9A 4200/4885

“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.