SCHEMBL86762

SCHEMBL86762

CNc1ccc(/C(O)=C/C2=Nc3ccccc3C3=NCCN23)cn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.37
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PTAFR P25105 5/20 0.34
DNMT1 P26358 1/20 0.34
RAD52 P43351 1/20 0.34
UHRF1 Q96T88 1/20 0.34
NNMT P40261 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
GRM5 P41594 1/20 0.32
EED O75530 2/20 0.31
DCAF15 Q66K64 2/20 0.31
F10 P00742 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
SMARCA2 P51531 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
SCHEMBL87151 0.88 PIK3CB (0.38) HCAR3PIK3CBPIK3CGPTAFRGRM5
SCHEMBL86844 0.88 HCAR3 (0.42) HCAR3PIK3CBPIK3CGPTAFRDNMT1
SCHEMBL86756 0.86 PIK3CB (0.36) PIK3CBPIK3CGPTAFRDNMT1RAD52
SCHEMBL86631 0.84 HCAR3 (0.34) HCAR3PTAFRNNMTHDAC4HDAC8
SCHEMBL86484 0.82 PIK3CB (0.44) PIK3CBPIK3CGPTAFRDNMT1RAD52
SCHEMBL86841 0.80 PTAFR (0.44) PIK3CBPIK3CGPTAFRDNMT1RAD52
SCHEMBL86960 0.80 HCAR3 (0.40) HCAR3PIK3CBPIK3CGPTAFRDNMT1
SCHEMBL86918 0.79 PTAFR (0.47) PIK3CBPIK3CGPTAFRDNMT1RAD52
SCHEMBL86735 0.78 PTAFR (0.43) PIK3CBPIK3CGPTAFRDNMT1RAD52
SCHEMBL87149 0.78 ALDH1A1 (0.40) PIK3CBPIK3CG

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-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
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 HCAR3 1471/4885PIK3CB 5/4885PIK3CG 4/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 HCAR3 1868/4885PIK3CB 570/4885PIK3CG 866/4885

“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.