SCHEMBL86683

SCHEMBL86683

COc1cc(C(=O)NC2=Nc3ccccc3C3=NCCN23)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.56
THRB P10828 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
MCL1 Q07820 1/20 0.47
TSHR P16473 2/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
CYP1A2 P05177 1/20 0.44
DRD2 P14416 2/20 0.43
DRD1 P21728 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL87114 0.92 PTAFR (0.46) PTAFRTHRBMEN1KMT2ASMN1; SMN2
SCHEMBL87113 0.90 ABCG2 (0.47) PTAFRMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL87356 0.90 PTAFR (0.46) PTAFRTHRBMEN1KMT2ASMN1; SMN2
SCHEMBL86998 0.89 SMN1; SMN2 (0.47) PTAFRMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL87108 0.84 GAA (0.47) PTAFRMEN1KMT2ASMN1; SMN2GAA
SCHEMBL86875 0.84 PTAFR (0.46) PTAFRMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL86990 0.84 NPC1 (0.39) PTAFRTHRBMEN1KMT2ASMN1; SMN2
SCHEMBL86682 0.84 RAB9A (0.52) MEN1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL86725 0.83 MEN1 (0.41) PTAFRMEN1KMT2ASMN1; SMN2GAA
SCHEMBL86616 0.83 TDP1 (0.43) PTAFRSMN1; SMN2TSHRCYP1A2

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 10 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-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 119/4885THRB 832/4885MEN1 2685/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 PTAFR 1757/4885THRB 3312/4885MEN1 1133/4885

“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.