SCHEMBL1966995

SCHEMBL1966995

c1coc(-c2nc3ccccn3c2NC2CCCCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.63
GAA P10253 7/20 0.61
ALDH1A1 P00352 5/20 0.61
KDM4E B2RXH2 3/20 0.61
GFER P55789 1/20 0.61
HPGD P15428 3/20 0.61
HTT P42858 1/20 0.61
MAPT P10636 4/20 0.61
MAPK1 P28482 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
ALOX5 P09917 2/20 0.59
TRIM33 Q9UPN9 3/20 0.58
TRIM24 O15164 2/20 0.58
SALL4 Q9UJQ4 1/20 0.57

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
SCHEMBL20889290 0.94 GAA (0.65) ADORA1GAAALDH1A1KDM4EGFER
SCHEMBL20889278 0.85 ALOX5 (0.63) GAAALDH1A1KDM4EGFERHPGD
SCHEMBL5165739 0.84 ALOX5 (0.65) ADORA1GAAALDH1A1KDM4EGFER
SCHEMBL1968827 0.81 ADORA1 (0.60) ADORA1GAAALDH1A1KDM4EGFER
SCHEMBL7975156 0.81 ADORA1 (0.81) ADORA1GAAALDH1A1KDM4EGFER
SCHEMBL5167267 0.81 ALOX5 (0.65) ADORA1GAAALDH1A1KDM4EHPGD
SCHEMBL6279815 0.80 PKM (0.49) GAAALDH1A1KDM4EGFERHPGD
SCHEMBL2986663 0.80 ADORA1 (0.79) ADORA1GAAALDH1A1KDM4EGFER
SCHEMBL13464259 0.79 ADORA1 (0.57) ADORA1GAAALDH1A1KDM4EGFER
SCHEMBL20889753 0.79 SALL4 (0.56) GAAALDH1A1KDM4EGFERHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116102548-A Cu-W 2 Method for preparing imidazole pyridine compound by using C/AC catalytic lignin and beta-O-4 model compound 中国科学院大连化学物理研究所 2023-05-12 CN claimed
EP-1218382-B1 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2004-01-28 EP claimed
US-6638933-B2 Analgesics GRUENENTHAL GMBH (DE) 2003-10-28 US claimed
JP-2003511451-A 2003-03-25 JP claimed
US-20030018032-A1 Bicyclic imidazo-3-yl-amine derivatives GRUENENTHAL GMBH 2003-01-23 US claimed
EP-1218382-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2002-07-03 EP claimed
WO-2001027111-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2001-04-19 WO claimed
CN-116102548-A Cu-W 2 Method for preparing imidazole pyridine compound by using C/AC catalytic lignin and beta-O-4 model compound 中国科学院大连化学物理研究所 2023-05-12 CN disclosed
US-11530209-B2 Small molecule inhibition of transcription factor SALL4 and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-20 US disclosed
US-20200317664-A1 SMALL MOLECULE INHIBITION OF TRANSCRIPTION FACTOR SALL4 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-10-08 US disclosed
WO-2019070943-A1 SMALL MOLECULE INHIBITION OF TRANSCRIPTION FACTOR SALL4 AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-11 WO disclosed
EP-2334675-B1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2014-03-26 EP disclosed
EP-2334675-B1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2014-03-26 EP disclosed
EP-2008210-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2008-12-31 EP disclosed
WO-2007105023-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2007-09-20 WO disclosed
EP-1218382-B1 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2004-01-28 EP disclosed
US-6638933-B2 Analgesics GRUENENTHAL GMBH (DE) 2003-10-28 US disclosed
US-20030018032-A1 Bicyclic imidazo-3-yl-amine derivatives GRUENENTHAL GMBH 2003-01-23 US disclosed
EP-1218382-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2002-07-03 EP disclosed
WO-2001027111-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2001-04-19 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 (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-11530209-B2 Small molecule inhibition of transcription factor SALL4 and uses thereof SALL4, GLI2, TCF4 ADORA1 4585/4885GAA 3761/4885ALDH1A1 1038/4885
US-20030018032-A1 Bicyclic imidazo-3-yl-amine derivatives OPRK1, IPO4, GRIN3A ADORA1 330/4885GAA 3278/4885ALDH1A1 1244/4885
US-20200317664-A1 SMALL MOLECULE INHIBITION OF TRANSCRIPTION FACTOR SALL4 AND USES THEREOF SALL4, GLI2, TCF4 ADORA1 4585/4885GAA 3761/4885ALDH1A1 1038/4885

“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.