SCHEMBL1225409

SCHEMBL1225409

COc1cc(C)c(N)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
GAA P10253 2/20 0.61
GFER P55789 1/20 0.61
CYP3A4 P08684 4/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 8/20 0.48
NPC1 O15118 1/20 0.48
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43

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
SCHEMBL29666518 1.00 POLB (0.61) POLBGAAGFERCYP3A4TSHR
SCHEMBL30723004 0.87 L3MBTL1 (0.60) POLBGAAGFERCYP3A4TSHR
SCHEMBL6314009 0.87 POLB (0.59) POLBGAAGFERCYP3A4TSHR
SCHEMBL525676 0.87 L3MBTL1 (0.60) POLBGAAGFERCYP3A4TSHR
SCHEMBL29540409 0.87 L3MBTL1 (0.60) POLBGAAGFERCYP3A4TSHR
SCHEMBL10256995 0.87 CYP3A4 (0.55) POLBGAAGFERCYP3A4TSHR
SCHEMBL453847 0.87 L3MBTL1 (0.60) POLBGAAGFERCYP3A4TSHR
SCHEMBL9520839 0.87 L3MBTL1 (0.60) POLBGAAGFERCYP3A4TSHR
Hydrochloric Acid SCHEMBL3333737 0.85 L3MBTL1 (0.58) POLBGAAGFERCYP3A4TSHR
SCHEMBL680329 0.83 POLB (0.61) POLBGAAGFERCYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435990-B2 Dihydropyrimidone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-05-07 US claimed
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US claimed
WO-1992016509-A1 MULTISUBSTITUTED 1-HYDROXY-9-ACRIDONES WITH ANTICANCER ACTIVITY SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-10-01 WO claimed
EP-3957627-B1 6-MEMBERED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME SHIONOGI & CO (JP) 2024-06-19 EP disclosed
EP-3426246-B1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2024-05-01 EP disclosed
US-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER AUCKLAND UNISERVICES LIMITED (NZ) 2023-11-16 US disclosed
CN-116669725-A Novel aminopyridine and use thereof in the treatment of cancer 奥克兰联合服务有限公司 2023-08-29 CN disclosed
EP-4217357-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER Auckland Uniservices Limited (NZ) 2023-08-02 EP disclosed
US-11685740-B2 Bicyclic nitrogen-containing heterocyclic derivatives and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2023-06-27 US disclosed
US-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-05-25 US disclosed
US-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-05-25 US disclosed
US-20030125346-A1 Amino-substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
US-20030069239-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators or caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-04-10 US disclosed
WO-2003018022-A1 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AMGEN INC. (US) 2003-03-06 WO disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO disclosed
WO-2002047690-A1 SUBSTITUTED 2-ARYL-4-ARYLAMINOPYRIMIDINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-06-20 WO disclosed
US-5576324-A Quinoline derivatives or salt thereof and remedy for cardiac diseases containing the same KOWA CO., LTD. (JP) 1996-11-19 US disclosed
EP-0638571-A1 QUINOLINE DERIVATIVE OR SALT THEREOF AND REMEDY FOR CARDIAC DISEASES CONTAINING THE SAME KOWA CO. LTD. (JP) 1995-02-15 EP disclosed
US-5296602-A Condensing substituted ortho-halo- or ortho-aminobenzoic acid with meta-halo- or meta-aminoanisole, cyclizing, N-alkylating, de-O-methylating SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-03-22 US disclosed
WO-1992016509-A1 MULTISUBSTITUTED 1-HYDROXY-9-ACRIDONES WITH ANTICANCER ACTIVITY SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-10-01 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 (5 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-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS C5, C9, C1QBP POLB 192/4885GAA 1213/4885GFER 1757/4885
US-20030125346-A1 Amino-substituted pyrimidinyl derivatives and methods of use TYMP, DPYD, TPMT POLB 691/4885GAA 1823/4885GFER 2957/4885
US-20030069239-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators or caspases and inducers of apoptosis and the use thereof API5, CASP2, APAF1 POLB 2514/4885GAA 2583/4885GFER 3100/4885
US-11685740-B2 Bicyclic nitrogen-containing heterocyclic derivatives and pharmaceutical composition comprising the same P2RX7, P2RX2, P2RX1 POLB 2884/4885GAA 4667/4885GFER 3293/4885
US-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER DCK, DTYMK, TYMP POLB 374/4885GAA 2100/4885GFER 4587/4885

“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.