SCHEMBL86709

SCHEMBL86709

CN(C=O)c1ccc(C(=O)NC2=Nc3ccccc3C3=NCCN23)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PTAFR P25105 9/20 0.34
DNMT1 P26358 1/20 0.34
RAD52 P43351 1/20 0.34
UHRF1 Q96T88 1/20 0.34
HDAC4 P56524 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
NAMPT P43490 1/20 0.33
KCNK3 O14649 1/20 0.33
F10 P00742 1/20 0.32
EED O75530 1/20 0.32
TNF P01375 1/20 0.32
NOD2 Q9HC29 1/20 0.32
NOD1 Q9Y239 1/20 0.32

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
SCHEMBL87126 0.89 KCNK3 (0.43) PIK3CBPIK3CGDNMT1RAD52UHRF1
SCHEMBL87099 0.85 PTAFR (0.44) PIK3CBPIK3CGPTAFRDNMT1RAD52
SCHEMBL86871 0.85 PIK3CB (0.46) PIK3CBPIK3CGPTAFRDNMT1RAD52
SCHEMBL86842 0.84 MEN1 (0.39) PIK3CBPIK3CGPTAFRDNMT1RAD52
SCHEMBL86725 0.83 MEN1 (0.41) PIK3CBPIK3CGPTAFRDNMT1RAD52
SCHEMBL12533693 0.83 DNMT1 (0.36) PIK3CBPIK3CGPTAFRDNMT1RAD52
SCHEMBL86942 0.83 NPC1 (0.44) PTAFRF10EED
SCHEMBL87360 0.83 TDP1 (0.44) PTAFRDNMT1RAD52UHRF1KCNK3
SCHEMBL86952 0.82 ABCG2 (0.41) PIK3CBPIK3CGPTAFRDNMT1RAD52
SCHEMBL87108 0.82 GAA (0.47) PTAFRHDAC4HDAC8F10

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 11 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
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.