SCHEMBL828475

SCHEMBL828475

COCCOc1ccccc1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 2/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 2/20 0.48
USP2 O75604 1/20 0.47
HTR1A P08908 2/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
MAOA P21397 1/20 0.46
HTR2B P41595 1/20 0.46
HTR7 P34969 1/20 0.44
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL29530470 0.95 KDM4E (0.57) ARALDH1A1GAAKDM4EPOLB
SCHEMBL19527734 0.95 KDM4E (0.57) ARALDH1A1GAAKDM4EPOLB
SCHEMBL1911338 0.91 ALDH1A1 (0.51) ARALDH1A1GAAKDM4EPOLB
SCHEMBL29530795 0.91 ALDH1A1 (0.51) ARALDH1A1GAAKDM4EPOLB
SCHEMBL7466903 0.86 AR (0.46) ARALDH1A1GAAKDM4EPOLB
SCHEMBL12284280 0.84 AR (0.50) ARALDH1A1GAAKDM4EPOLB
SCHEMBL6888043 0.84 AR (0.47) ARALDH1A1GAAKDM4EPOLB
SCHEMBL18587828 0.83 GAA (0.51) ALDH1A1GAAKDM4EPOLBHPGD
SCHEMBL973234 0.83 ALDH1A1 (0.54) ALDH1A1GAAKDM4EPOLBHPGD
SCHEMBL29530857 0.83 GAA (0.51) ALDH1A1GAAKDM4EPOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109715612-A SOMATOSTATIN MODULATORS AND USES THEREOF 克林提克斯医药股份有限公司 2019-05-03 CN claimed
CN-104059026-B A kind of method preparing erlotinid hydrochloride ASYMCHEM MEDICAL GROUP (TIANJIN) INC. (CN) 2016-03-30 CN claimed
CN-104059026-A Preparation method for erlotinib hydrochloride ASYMCHEM LAB TIANJIN CO LTD 2014-09-24 CN claimed
CN-102584719-A Preparing technology of erlotinib hydrochloride REYOUNG PHARMACEUTICAL CO LTD 2012-07-18 CN claimed
CN-102438995-A Preparation process of erlotinib or pharmaceutically acceptable salt thereof RANBAXY LAB LTD 2012-05-02 CN claimed
CN-115108999-B Phenyl piperazine quinazoline compound or pharmaceutically acceptable salt thereof, preparation method and application 暨南大学 2023-11-03 CN disclosed
CN-114920704-B Phenyl piperazine quinazoline compound or pharmaceutically acceptable salt thereof, preparation method and application 暨南大学 2023-11-03 CN disclosed
WO-2023179366-A1 OXADIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 星希尔生物科技(上海)有限公司 2023-09-28 WO disclosed
CN-115557929-A Somatostatin modulators and uses thereof 克林提克斯医药股份有限公司 2023-01-03 CN disclosed
US-11472798-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2022-10-18 US disclosed
CN-109715612-B Somatostatin modulators and uses thereof 克林提克斯医药股份有限公司 2022-09-16 CN disclosed
US-20220259226-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2022-08-18 US disclosed
WO-2007138612-A3 A PROCESS FOR SYNTHESIS OF [6,7-BIS-(2-METHOXYETHOXY)-QUINAZOLIN-4- YL]-(3-ETHYNYLPHENYL)AMINE HYDROCHLORIDE VITTAL MALLYA SCIENT RES FOUND (IN) 2009-04-16 WO disclosed
WO-2007138613-A3 A PROCESS FOR SYNTHESIS OF [6,7-BIS-(2-METHOXYETHOXY)-QUINAZOLIN-4-YL]-(3-ETHYNYLPHENYL)AMINE HYDROCHLORIDE VITTAL MALLYA SCIENT RES FOUND (IN) 2009-04-16 WO disclosed
WO-2007138612-A2 A PROCESS FOR SYNTHESIS OF [6,7-BIS-(2-METHOXYETHOXY)-QUINAZOLIN-4- YL]-(3-ETHYNYLPHENYL)AMINE HYDROCHLORIDE VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2007-12-06 WO disclosed
WO-2007138612-A2 A PROCESS FOR SYNTHESIS OF [6,7-BIS-(2-METHOXYETHOXY)-QUINAZOLIN-4- YL]-(3-ETHYNYLPHENYL)AMINE HYDROCHLORIDE VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2007-12-06 WO disclosed
WO-2007138613-A2 A PROCESS FOR SYNTHESIS OF [6,7-BIS-(2-METHOXYETHOXY)-QUINAZOLIN-4-YL]-(3-ETHYNYLPHENYL)AMINE HYDROCHLORIDE VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2007-12-06 WO disclosed
WO-2007138613-A2 A PROCESS FOR SYNTHESIS OF [6,7-BIS-(2-METHOXYETHOXY)-QUINAZOLIN-4-YL]-(3-ETHYNYLPHENYL)AMINE HYDROCHLORIDE VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2007-12-06 WO disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
EP-1724262-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-22 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 (3 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-11472798-B2 Compounds UCHL1, UCHL3, UCHL5 AR 3803/4885ALDH1A1 300/4885GAA 455/4885
US-20070185160-A1 1-(2H)-isoquinolone derivative NR3C2, NR1H4, NR3C1 AR 254/4885ALDH1A1 2752/4885GAA 4558/4885
US-20220259226-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 AR 2018/4885ALDH1A1 647/4885GAA 3172/4885

“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.