SCHEMBL11530601

SCHEMBL11530601

Cc1nnn(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HTT P42858 1/20 0.46
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
DHODH Q02127 1/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.42
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL13325646 0.80 DCTPP1 (0.51) CYP1A2CYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL44422 0.78 NPC1 (0.65) NPC1RAB9ASMN1; SMN2IDO1TDO2
SCHEMBL435000 0.78 HTT (0.59) CYP1A2CYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL13359635 0.77 NPC1 (0.49) CYP1A2CYP2C19CYP2C9NPC1RAB9A
Hydrochloric Acid SCHEMBL28572130 0.77 NPC1 (0.62) CYP1A2CYP2C19CYP2C9NPC1RAB9A
SCHEMBL14133234 0.77 NPC1 (0.49) NPC1RAB9ASMN1; SMN2IDO1TDO2
SCHEMBL8656270 0.76 DRD2 (0.43) CYP1A2CYP2C19CYP2C9NPC1RAB9A
SCHEMBL9415763 0.76 MAPT (0.47) CYP1A2CYP2C19CYP2C9NPC1RAB9A
SCHEMBL13325640 0.75 ALDH1A1 (0.48) SMN1; SMN2IDO1TDO2DHODHALDH1A1
SCHEMBL13325643 0.75 FGFR1 (0.46) NPC1RAB9ASMN1; SMN2HTTDHODH

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4140782-A Combating fungi and nematodes with diphenyl-triazolyl-methanes BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US claimed
US-11659766-B2 Organic semiconductor material for electron transport DAEGU GYEONGBUK INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2023-05-23 US disclosed
US-11659766-B2 Organic semiconductor material for electron transport DAEGU GYEONGBUK INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2023-05-23 US disclosed
US-20190189933-A1 ORGANIC SEMICONDUCTOR MATERIAL FOR ELECTRON TRANSPORT DAEGU GYEONGBUK INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2019-06-20 US disclosed
US-9520566-B2 Condensed cyclic compound and organic light-emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-13 US disclosed
US-7709655-B2 Clickphosphines for transition metal-catalyzed reactions THE PENN STATE RESEARCH FOUNDATION (US) 2010-05-04 US disclosed
US-20070088166-A1 Clickphosphines for transition metal-catalyzed reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-04-19 US disclosed
CN-1522701-A Epoxy-steroidal aldosterone antagonist and angiotensin ii antagonist combination therapy G.D.ɪ����˾ 2004-08-25 CN disclosed
CN-1142793-C Epoxy-steroidal aldosterone antagonist and angiotensin II antagonist combination therapy for the treatment of congestive heart failure G��D��ɪ����˾ 2004-03-24 CN disclosed
CN-1192697-A Epoxy-steroidal aldosterone antagonist and angiotensin II antagonist combination therapy for the treatment of congestive heart failure SEARLE & CO (US) 1998-09-09 CN disclosed
US-4140782-A Combating fungi and nematodes with diphenyl-triazolyl-methanes BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed
US-4140782-A Combating fungi and nematodes with diphenyl-triazolyl-methanes BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed
US-4140782-A Combating fungi and nematodes with diphenyl-triazolyl-methanes BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 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 (1 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-20070088166-A1 Clickphosphines for transition metal-catalyzed reactions WEE1, WEE2, ITK CYP1A2 3248/4885CYP2C19 1573/4885CYP2C9 1538/4885

“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.