SCHEMBL3601739

SCHEMBL3601739

CC(CNc1nc(-c2ccc(Cl)cc2Cl)cc2nccn12)c1cc(N)nc(N)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
GSK3B P49841 5/20 0.34
GSK3A P49840 3/20 0.34
CDK1 P06493 2/20 0.34
DPP4 P27487 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
CCNB2 O95067 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
ALPL P05186 1/20 0.31
AKT3 Q9Y243 1/20 0.31
MAP4K2 Q12851 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL3607009 0.85 GSK3B (0.37) PIK3CAPIK3CBPIK3CGGSK3BGSK3A
SCHEMBL3608387 0.83 PIK3CA (0.34) PIK3CAPIK3CBPIK3CGGSK3BGSK3A
SCHEMBL3606285 0.83 GSK3B (0.36) PIK3CAPIK3CBPIK3CGGSK3BGSK3A
SCHEMBL10270172 0.79 GSK3B (0.46) PIK3CAPIK3CBPIK3CGGSK3BGSK3A
SCHEMBL12680654 0.76 GSK3B (0.47) PIK3CAPIK3CBPIK3CGGSK3BGSK3A
Formic Acid SCHEMBL3609241 0.76 GSK3B (0.36) PIK3CAPIK3CBPIK3CGGSK3BGSK3A
SCHEMBL10270002 0.75 GSK3B (0.56) PIK3CAPIK3CBPIK3CGGSK3BGSK3A
SCHEMBL12680798 0.74 GSK3B (0.45) PIK3CAPIK3CBPIK3CGGSK3BGSK3A
SCHEMBL3601736 0.74 PIK3CA (0.32) PIK3CAPIK3CBPIK3CGDPP4CYP2D6
SCHEMBL10270551 0.74 GSK3B (0.53) PIK3CAPIK3CBPIK3CGGSK3BGSK3A

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 7 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-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
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
EP-2137188-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-12-30 EP 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 PIK3CA 405/4885PIK3CB 788/4885PIK3CG 1224/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT PIK3CA 223/4885PIK3CB 509/4885PIK3CG 784/4885

“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.