SCHEMBL87113

SCHEMBL87113

COc1ccc(C(=O)NC2=Nc3ccccc3C3=NCCN23)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.47
PTAFR P25105 2/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
ABCB1 P08183 1/20 0.45
PDE4D Q08499 1/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
USP2 O75604 1/20 0.44
CHEK1 O14757 1/20 0.44
PIM1 P11309 1/20 0.44
MAPK8 P45983 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
NQO2 P16083 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL86683 0.90 PTAFR (0.56) PTAFRPOLBMAPTKMT2AMEN1
SCHEMBL87108 0.86 GAA (0.47) ABCG2PTAFRMAPTKMT2AMEN1
SCHEMBL86998 0.86 SMN1; SMN2 (0.47) PTAFRMAPTKMT2AMEN1CASP3
SCHEMBL86682 0.86 RAB9A (0.52) POLBMAPTKMT2AMEN1RAB9A
SCHEMBL86725 0.85 MEN1 (0.41) PTAFRMAPTKMT2AMEN1RAB9A
SCHEMBL87395 0.84 RAB9A (0.42) PTAFRKMT2AMEN1RAB9ANPC1
SCHEMBL86875 0.84 PTAFR (0.46) PTAFRPOLBMAPTKMT2AMEN1
SCHEMBL87356 0.84 PTAFR (0.46) PTAFRPOLBMAPTKMT2AMEN1
SCHEMBL87099 0.83 PTAFR (0.44) ABCG2PTAFRPOLBMAPTKMT2A
SCHEMBL86871 0.82 PIK3CB (0.46) ABCG2PTAFRPOLBMAPTKMT2A

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 ABCG2 2524/4885PTAFR 119/4885POLB 1757/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 ABCG2 44/4885PTAFR 1757/4885POLB 1015/4885

“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.