SCHEMBL86640

SCHEMBL86640

Cc1cc(C(=O)NC2=Nc3ccccc3C3=NCCN23)cnc1N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNC P24863 3/20 0.41
CDK8 P49336 3/20 0.41
ATR Q13535 3/20 0.36
PRKDC P78527 1/20 0.36
PTAFR P25105 2/20 0.36
CSF1R P07333 6/20 0.35
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
DNMT1 P26358 1/20 0.33
RAD52 P43351 1/20 0.33
UHRF1 Q96T88 1/20 0.33
PRMT5 O14744 1/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 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
SCHEMBL86625 0.85 HDAC1 (0.41) PTAFRPIK3CBPIK3CGDNMT1RAD52
SCHEMBL86839 0.83 HDAC1 (0.42) CCNCCDK8PTAFRPIK3CBPIK3CG
SCHEMBL86990 0.83 NPC1 (0.39) PTAFRPIK3CBPIK3CGDNMT1RAD52
SCHEMBL86891 0.83 PTPN11 (0.36) CCNCCDK8ATRPRKDCPTAFR
SCHEMBL87356 0.83 PTAFR (0.46) PTAFR
SCHEMBL86755 0.83 ABCG2 (0.47) HDAC1
SCHEMBL86622 0.82 CCNC (0.39) CCNCCDK8PTAFRPIK3CBPIK3CG
SCHEMBL87099 0.82 PTAFR (0.44) PTAFRPIK3CBPIK3CGDNMT1RAD52
SCHEMBL86871 0.81 PIK3CB (0.46) PTAFRPIK3CBPIK3CGDNMT1RAD52
SCHEMBL86674 0.81 NPC1 (0.49)

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 CCNC 728/4885CDK8 387/4885ATR 130/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 CCNC 45/4885CDK8 182/4885ATR 1376/4885

“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.