SCHEMBL86874

SCHEMBL86874

CN(C)/C=N/c1cncc(C(=O)NC2=Nc3ccccc3C3=NCCN23)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PTAFR P25105 1/20 0.35
CCNC P24863 8/20 0.33
CDK8 P49336 8/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.31
TLR8 Q9NR97 1/20 0.30
DNMT1 P26358 1/20 0.30
RAD52 P43351 1/20 0.30
UHRF1 Q96T88 1/20 0.30

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
SCHEMBL86619 0.82 PIK3CB (0.40) PIK3CBPIK3CGPTAFRCCNCCDK8
SCHEMBL81597 0.82 PIK3CB (0.38) PIK3CBPIK3CGPTAFRCCNCCDK8
SCHEMBL86622 0.82 CCNC (0.39) PIK3CBPIK3CGPTAFRCCNCCDK8
SCHEMBL86616 0.81 TDP1 (0.43) PTAFRCCNCCDK8TLR8
SCHEMBL86838 0.78 NAMPT (0.39) PIK3CBPIK3CGPTAFRCCNCCDK8
SCHEMBL82510 0.78 HDAC1 (0.45) PTAFR
SCHEMBL87126 0.78 KCNK3 (0.43) PIK3CBPIK3CGDNMT1RAD52UHRF1
SCHEMBL14041049 0.77 PIK3CB (0.37) PIK3CBPIK3CGPTAFRCCNCCDK8
SCHEMBL86964 0.77 MAPT (0.45)
SCHEMBL86871 0.77 PIK3CB (0.46) PIK3CBPIK3CGPTAFRDNMT1RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
EP-2042504-B1 Fused azole-pyrimidine derivatives BAYER SCHERING PHARMA AG (DE) 2011-06-01 EP disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
EP-2042504-A1 Fused azole-pyrimidine derivatives Bayer HealthCare AG (DE) 2009-04-01 EP disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 EP 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-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 PIK3CB 5/4885PIK3CG 4/4885PTAFR 119/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 PIK3CB 570/4885PIK3CG 866/4885PTAFR 1757/4885

“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.