SCHEMBL86413

SCHEMBL86413

COc1cc2c(cc1OC)C1=NCCN1C(/C=C(\O)c1ccc(NC(C)=O)nc1)=N2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.36
FGFR3 P22607 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
F10 P00742 3/20 0.33
PIK3CA P42336 2/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL86631 0.89 HCAR3 (0.34) FGFR3SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL86633 0.89 HCAR3 (0.37) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL82525 0.86 THRB (0.33) METFGFR3SMN1; SMN2NPC1RAB9A
SCHEMBL82551 0.86 THRB (0.33) METFGFR3SMN1; SMN2NPC1RAB9A
SCHEMBL86415 0.85 HCAR3 (0.33) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL86563 0.85 MAPT (0.39) METFGFR3SMN1; SMN2NPC1RAB9A
SCHEMBL87151 0.85 PIK3CB (0.38) NPC1RAB9AALDH1A1F10
SCHEMBL82216 0.85 FGFR3 (0.34) METFGFR3SMN1; SMN2NPC1RAB9A
SCHEMBL82215 0.85 FGFR3 (0.34) METFGFR3SMN1; SMN2NPC1RAB9A
SCHEMBL86404 0.85 HDAC8 (0.35) MAPTALDH1A1KDM4EKMT2ATHRB

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-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

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 MET 2612/4885FGFR3 213/4885SMN1; SMN2 3659/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 MET 639/4885FGFR3 153/4885SMN1; SMN2 1755/4885

“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.