SCHEMBL3613362

SCHEMBL3613362

N#Cc1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)c(Cl)c3ncc(Cl)n23)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.53
CCNB2 O95067 1/20 0.53
CDK1 P06493 1/20 0.53
CCNB1 P14635 1/20 0.53
RPS6KB1 P23443 1/20 0.53
CDK2 P24941 1/20 0.53
GSK3A P49840 1/20 0.53
LIMK1 P53667 1/20 0.53
TAOK1 Q7L7X3 1/20 0.53
CCNB3 Q8WWL7 1/20 0.53
SLK Q9H2G2 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
CSNK1G1 Q9HCP0 1/20 0.53
IDH1 O75874 1/20 0.40
TMPRSS4 Q9NRS4 1/20 0.38
DPP4 P27487 6/20 0.35
DPP7 Q9UHL4 2/20 0.33
DPP8 Q6V1X1 1/20 0.33
NSD2 O96028 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL3599073 0.84 GSK3B (0.51) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL3618005 0.83 GSK3B (0.53) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL3613969 0.76 GSK3B (0.51) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL3608624 0.73 GSK3B (0.53) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL4400377 0.73 GSK3B (0.62) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL13300067 0.73 GSK3B (0.59) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL3611415 0.73 GSK3B (0.52) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL5082188 0.72 GSK3B (0.54) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL14079153 0.72 GSK3B (0.55) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL14079158 0.71 GSK3B (0.57) GSK3BCCNB2CDK1CCNB1RPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709646-B2 Tetrahydroquinoline derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-04 US claimed
US-7138412-B2 Tetrahydroquinoline derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-21 US claimed
US-20060223854-A1 Tetrahydroquinoline derivatives useful as serine protease inhibitors QUAN MIMI L 2006-10-05 US claimed
US-20040235847-A1 Tetrahydroquinoline derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 US claimed
US-9051323-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US disclosed
US-9051323-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US disclosed
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
US-8273752-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-25 US disclosed
US-8273752-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-25 US disclosed
US-8273752-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-25 US disclosed
EP-2137188-B1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Pharma AG (DE) 2012-06-06 EP disclosed
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 US disclosed
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 US disclosed
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 US disclosed
US-7709646-B2 Tetrahydroquinoline derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-04 US disclosed
WO-2008113469-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-25 WO disclosed
US-7138412-B2 Tetrahydroquinoline derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-21 US disclosed
US-20060223854-A1 Tetrahydroquinoline derivatives useful as serine protease inhibitors QUAN MIMI L 2006-10-05 US disclosed
US-20040235847-A1 Tetrahydroquinoline derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 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 (4 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-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES TYMP, DPYD, THPO GSK3B 3269/4885CCNB2 1153/4885CDK1 1050/4885
US-20040235847-A1 Tetrahydroquinoline derivatives useful as serine protease inhibitors TFPI, F2, TFPI2 GSK3B 1053/4885CCNB2 2674/4885CDK1 601/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT GSK3B 3009/4885CCNB2 962/4885CDK1 818/4885
US-20060223854-A1 Tetrahydroquinoline derivatives useful as serine protease inhibitors F12, F2, TFPI GSK3B 922/4885CCNB2 2123/4885CDK1 395/4885

“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.