SCHEMBL86841

SCHEMBL86841

O/C(=C\C1=Nc2ccccc2C2=NCCN12)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 5/20 0.44
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
DNMT1 P26358 1/20 0.37
RAD52 P43351 1/20 0.37
UHRF1 Q96T88 1/20 0.37
GPR6 P46095 1/20 0.37
CYP19A1 P11511 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP1B1 Q16678 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL86773 0.92 PTAFR (0.40) PTAFRPIK3CBPIK3CGDNMT1RAD52
SCHEMBL86775 0.91 PTAFR (0.39) PTAFRPIK3CBPIK3CGDNMT1RAD52
SCHEMBL86484 0.89 PIK3CB (0.44) PTAFRPIK3CBPIK3CGDNMT1RAD52
SCHEMBL87141 0.87 PTAFR (0.42) PTAFRPIK3CBPIK3CGGPR6CA1
SCHEMBL86735 0.87 PTAFR (0.43) PTAFRPIK3CBPIK3CGDNMT1RAD52
SCHEMBL86837 0.87 PTAFR (0.36) PTAFRPIK3CBPIK3CGGPR6CYP1A1
SCHEMBL87137 0.86 HDAC8 (0.40) PTAFRPIK3CBPIK3CGGPR6CYP19A1
SCHEMBL86456 0.86 HDAC8 (0.38) PTAFRPIK3CBPIK3CGGPR6CYP1A2
SCHEMBL86693 0.86 HDAC8 (0.40) PTAFRPIK3CBPIK3CGGPR6HDAC4
SCHEMBL86459 0.86 HDAC8 (0.38) PTAFRGPR6CYP19A1CYP1A2CYP3A4

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 PTAFR 119/4885PIK3CB 5/4885PIK3CG 4/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 PTAFR 1757/4885PIK3CB 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.