SCHEMBL3602205

SCHEMBL3602205

N#Cc1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cc3nc(CN4CCOCC4)nn23)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.47
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3A P49840 1/20 0.42
LIMK1 P53667 1/20 0.42
TAOK1 Q7L7X3 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
SLK Q9H2G2 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
CSNK1G1 Q9HCP0 1/20 0.42
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAP3K8 P41279 5/20 0.37

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
SCHEMBL12680882 0.92 GSK3B (0.48) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL10270556 0.87 GSK3B (0.48) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL12680834 0.86 GSK3B (0.51) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL12680872 0.86 MAP3K8 (0.35) GSK3BGSK3AALDH1A1CYP1A2ALOX15
SCHEMBL12680866 0.85 GSK3B (0.50) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL12681580 0.84 MOK (0.39) GSK3BCLK4CYP1A2MAPK14DPP4
SCHEMBL12680883 0.83 GSK3B (0.47) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL12680836 0.83 GSK3B (0.53) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL12680840 0.83 GSK3B (0.48) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL10270318 0.83 ALDH1A1 (0.36) GSK3BGSK3ACLK4ALDH1A1CYP1A2

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-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
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
WO-2008113469-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-25 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 (2 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-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT GSK3B 3009/4885CCNB2 962/4885CDK1 818/4885

“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.