SCHEMBL87149

SCHEMBL87149

CC(=O)Nc1ccc(/C(O)=C/C2=Nc3ccccc3C3=NCCN23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
HTT P42858 2/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
SCN2A Q99250 1/20 0.36
HPGD P15428 3/20 0.36
NAPRT Q6XQN6 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 5/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
TAAR1 Q96RJ0 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL87151 0.86 PIK3CB (0.38) ALDH1A1PIK3CBPIK3CGRAB9ANPC1
SCHEMBL86484 0.84 PIK3CB (0.44) PIK3CBPIK3CG
SCHEMBL86918 0.81 PTAFR (0.47) ALDH1A1PIK3CBPIK3CGKMT2AMEN1
SCHEMBL86735 0.80 PTAFR (0.43) PIK3CBPIK3CGRAB9ANPC1
SCHEMBL86852 0.79 ALDH1A1 (0.40) ALDH1A1L3MBTL1HTTPIK3CBPIK3CG
SCHEMBL86919 0.79 HDAC4 (0.38) PIK3CBPIK3CGPOLB
SCHEMBL86762 0.78 HCAR3 (0.37) PIK3CBPIK3CG
SCHEMBL86897 0.77 DNMT1 (0.42) PIK3CBPIK3CGKMT2AMEN1
SCHEMBL86904 0.76 DNMT1 (0.38) PIK3CBPIK3CG
SCHEMBL86841 0.75 PTAFR (0.44) L3MBTL1PIK3CBPIK3CGKMT2AMEN1

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 ALDH1A1 4300/4885L3MBTL1 3991/4885CACNA1B 4793/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 ALDH1A1 798/4885L3MBTL1 3744/4885CACNA1B 2740/4885

“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.