SCHEMBL87135

SCHEMBL87135

COc1ncccc1C(=O)NC1=Nc2ccccc2C2=NCCN12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.39
BRD4 O60885 1/20 0.39
BRPF1 P55201 1/20 0.39
GPR6 P46095 12/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PPARG P37231 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
ACKR3 P25106 1/20 0.37

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
SCHEMBL86609 0.87 P2RX7 (0.42) PTAFRL3MBTL1KMT2AGAAMAPT
SCHEMBL86740 0.86 KMT2A (0.38) PTAFRL3MBTL1KMT2AGAAMAPT
SCHEMBL86610 0.85 PRKCI (0.49) L3MBTL1KMT2AGAA
SCHEMBL86875 0.85 PTAFR (0.46) PTAFRKMT2AGAAMAPTRXFP1
SCHEMBL86985 0.85 HPGD (0.44) PTAFRGPR6KMT2A
SCHEMBL87070 0.85 GAA (0.50) L3MBTL1KMT2AGAAMAPTRXFP1
SCHEMBL86741 0.84 KMT2A (0.47) GPR6L3MBTL1KMT2AGAA
SCHEMBL86892 0.83 NPC1 (0.45) KMT2AMAPT
SCHEMBL87108 0.81 GAA (0.47) PTAFRKMT2AGAAMAPT
SCHEMBL86998 0.81 SMN1; SMN2 (0.47) PTAFRKMT2AMAPTRXFP1

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 119/4885BRD4 1434/4885BRPF1 1552/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 PTAFR 1757/4885BRD4 1959/4885BRPF1 3410/4885

“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.