SCHEMBL87119

SCHEMBL87119

O/C(=C\C1=Nc2c(cccc2C(F)(F)F)C2=NCCN12)c1cccnc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.37
GPR6 P46095 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
CYP2C9 P11712 1/20 0.33
SLC9A1 P19634 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAOA P21397 1/20 0.32
HSD11B1 P28845 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
P2RX7 Q99572 1/20 0.32
CYP3A4 P08684 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
EPHX2 P34913 1/20 0.31
SFRP1 Q8N474 1/20 0.31

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
SCHEMBL86658 0.88 PTAFR (0.39) PTAFRGPR6PIK3CBPIK3CGALDH1A1
SCHEMBL86817 0.87 PTAFR (0.39) PTAFRGPR6PIK3CBPIK3CGALDH1A1
SCHEMBL86422 0.85 PTAFR (0.39) PTAFRGPR6PIK3CBPIK3CGALDH1A1
SCHEMBL86820 0.85 PTAFR (0.39) PTAFRGPR6PIK3CBPIK3CGCA1
SCHEMBL86421 0.85 PTAFR (0.39) PTAFRGPR6PIK3CBPIK3CG
SCHEMBL86815 0.82 PTAFR (0.37) PTAFRALDH1A1CYP3A4
SCHEMBL86841 0.80 PTAFR (0.44) PTAFRGPR6PIK3CBPIK3CGCA1
SCHEMBL86890 0.80 POLB (0.36) PTAFRGPR6PIK3CBPIK3CGMAOA
SCHEMBL86945 0.80 ALDH1A1 (0.45) ALDH1A1TRPM8
SCHEMBL86825 0.79 KMT2A (0.36) PTAFRGPR6PIK3CBPIK3CGALDH1A1

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 119/4885GPR6 1325/4885PIK3CB 5/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 PTAFR 1757/4885GPR6 2112/4885PIK3CB 570/4885

“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.