SCHEMBL86998

SCHEMBL86998

COc1cc(OC)cc(C(=O)NC2=Nc3ccccc3C3=NCCN23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 4/20 0.47
PTAFR P25105 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
MAPT P10636 4/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 4/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL86682 0.93 RAB9A (0.52) SMN1; SMN2TSHRKMT2AMEN1MAPT
SCHEMBL86616 0.92 TDP1 (0.43) SMN1; SMN2CYP1A2CYP2C19TSHRPTAFR
SCHEMBL87108 0.91 GAA (0.47) SMN1; SMN2CYP1A2CYP2C19PTAFRKMT2A
SCHEMBL87356 0.89 PTAFR (0.46) SMN1; SMN2CYP1A2CYP2C19TSHRPTAFR
SCHEMBL86683 0.89 PTAFR (0.56) SMN1; SMN2CYP1A2TSHRPTAFRKMT2A
SCHEMBL87114 0.89 PTAFR (0.46) SMN1; SMN2CYP1A2CYP2C19TSHRPTAFR
SCHEMBL86990 0.87 NPC1 (0.39) SMN1; SMN2PTAFRKMT2AMEN1KDM4E
SCHEMBL87113 0.86 ABCG2 (0.47) SMN1; SMN2PTAFRKMT2AMEN1CASP3
SCHEMBL86725 0.86 MEN1 (0.41) SMN1; SMN2TSHRPTAFRKMT2AMEN1
SCHEMBL87395 0.85 RAB9A (0.42) SMN1; SMN2PTAFRKMT2AMEN1HSD17B10

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 SMN1; SMN2 3659/4885CYP1A2 2904/4885CYP2C19 1702/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 SMN1; SMN2 1755/4885CYP1A2 621/4885CYP2C19 620/4885

“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.