SCHEMBL672555

SCHEMBL672555

CC(C)Cc1nc(N)nc(N)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.55
CASP1 P29466 1/20 0.46
CYP1A2 P05177 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
TSHR P16473 1/20 0.36
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.31
P2RX3 P56373 1/20 0.30
P2RX2 Q9UBL9 1/20 0.30
CDK1 P06493 2/20 0.30

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
SCHEMBL31332590 0.86 HRH4 (0.49) HRH4CASP1CYP1A2NOS3NOS1
SCHEMBL26185003 0.84 CASP1 (0.46) HRH4CASP1CYP1A2TSHRLMNA
SCHEMBL27572980 0.78 CASP1 (0.41) HRH4CASP1CYP1A2TSHRLMNA
SCHEMBL27572992 0.78 CASP1 (0.41) HRH4CASP1CYP1A2TSHRLMNA
SCHEMBL27553036 0.77 CASP1 (0.39) HRH4CASP1CYP1A2LMNASMN1; SMN2
SCHEMBL11413670 0.75 CASP1 (0.54) HRH4CASP1CYP1A2NOS3NOS1
SCHEMBL11350409 0.73 HRH4 (0.39) HRH4NOS3NOS1NOS2HSD17B10
Isobutanol SCHEMBL11126122 0.72 TSHR (0.53) HRH4CASP1CYP1A2NOS3NOS1
SCHEMBL5612558 0.72 HRH4 (0.38) HRH4CASP1CYP1A2TSHR
SCHEMBL12716504 0.70 HRH4 (0.35) HRH4NOS3NOS1NOS2HSD17B10

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-20250002823-A1 Compositions For Removing Photoresist And Etch Residue From A Substrate With Copper Corrosion Inhibitor And Uses Thereof VERSUM MATERIALS US, LLC 2025-01-02 US disclosed
EP-4416555-A1 COMPOSITIONS FOR REMOVING PHOTORESIST AND ETCH RESIDUE FROM A SUBSTRATE WITH COPPER CORROSION INHIBITOR AND USES THEREOF Versum Materials US, LLC (US) 2024-08-21 EP disclosed
CN-118401902-A Composition with copper corrosion inhibitor for removing photoresist and etching residues from a substrate and use thereof 弗萨姆材料美国有限责任公司 2024-07-26 CN disclosed
US-11844802-B2 Compounds and compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2023-12-19 US disclosed
WO-2023114638-A1 COMPOSITIONS FOR REMOVING PHOTORESIST AND ETCH RESIDUE FROM A SUBSTRATE WITH COPPER CORROSION INHIBITOR AND USES THEREOF VERSUM MATERIALS US, LLC (US) 2023-06-22 WO disclosed
US-20230044670-A1 Compounds and Compositions for Ossification and Methods Related Thereto UNIV EMORY (US) 2023-02-09 US disclosed
US-11471461-B2 Compounds and compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2022-10-18 US disclosed
WO-2021066088-A1 NOVEL TRIAZINE DERIVATIVE Meiji Seikaファルマ株式会社 2021-04-08 WO disclosed
US-20210100806-A1 Compounds and Compositions for Ossification and Methods Related Thereto UNIV EMORY (US) 2021-04-08 US disclosed
US-10960088-B2 Macrocycles, cobalt and iron complexes of same, and methods of making and using same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-03-30 US disclosed
US-9808464-B2 Compounds and compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2017-11-07 US disclosed
EP-3187197-A1 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO Emory University (US) 2017-07-05 EP disclosed
EP-2605804-B1 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO UNIV EMORY (US) 2017-03-15 EP disclosed
US-20170035771-A1 Compounds and Compositions for Ossification and Methods Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-02-09 US disclosed
US-9511071-B2 Compounds and compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2016-12-06 US disclosed
US-20160228581-A1 MACROCYCLES, COBALT AND IRON COMPLEXES OF SAME, AND METHODS OF MAKING AND USING SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2016-08-11 US disclosed
US-20150183739-A1 PROCESSES FOR THE PREPARATION OF ISOINDOLE COMPOUNDS AND ISOTOPOLOGUES THEREOF AMGEN INC. 2015-07-02 US disclosed
EP-2605804-A2 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO Emory University (US) 2013-06-26 EP disclosed
US-20130137634-A1 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2013-05-30 US disclosed
WO-2012024489-A2 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2012-02-23 WO 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 (9 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-20130137634-A1 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO BMP2, SOST, BMP4 HRH4 3899/4885CASP1 1566/4885CYP1A2 3253/4885
US-11471461-B2 Compounds and compositions for ossification and methods related thereto BMP2, SOST, BMP4 HRH4 3899/4885CASP1 1566/4885CYP1A2 3253/4885
US-20150183739-A1 PROCESSES FOR THE PREPARATION OF ISOINDOLE COMPOUNDS AND ISOTOPOLOGUES THEREOF HPD, DHPS, IDH2 HRH4 1307/4885CASP1 3908/4885CYP1A2 51/4885
US-20230044670-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 HRH4 3899/4885CASP1 1566/4885CYP1A2 3253/4885
US-20210100806-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 HRH4 3899/4885CASP1 1566/4885CYP1A2 3253/4885
US-20160228581-A1 MACROCYCLES, COBALT AND IRON COMPLEXES OF SAME, AND METHODS OF MAKING AND USING SAME ABCB7, FECH, CYC1 HRH4 4560/4885CASP1 2431/4885CYP1A2 1360/4885
US-20170035771-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 HRH4 3899/4885CASP1 1566/4885CYP1A2 3253/4885
US-11844802-B2 Compounds and compositions for ossification and methods related thereto BMP2, SOST, BMP4 HRH4 3899/4885CASP1 1566/4885CYP1A2 3253/4885
US-10960088-B2 Macrocycles, cobalt and iron complexes of same, and methods of making and using same ABCB7, FECH, CYC1 HRH4 4560/4885CASP1 2431/4885CYP1A2 1360/4885

“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.