SCHEMBL86631

SCHEMBL86631

CNc1ccc(/C(O)=C/C2=Nc3cc(OC)c(OC)cc3C3=NCCN23)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
PTAFR P25105 2/20 0.33
MAPT P10636 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC4 P56524 1/20 0.33
FYN P06241 1/20 0.33
HPGD P15428 1/20 0.32
NNMT P40261 1/20 0.31
FGFR3 P22607 1/20 0.31
GAA P10253 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL86633 0.90 HCAR3 (0.37) HCAR3KDM4EALDH1A1PTAFRMAPT
SCHEMBL86413 0.89 MET (0.36) KDM4EALDH1A1MAPTNPC1NFKB1
SCHEMBL86415 0.89 HCAR3 (0.33) HCAR3KDM4EALDH1A1PTAFRMAPT
SCHEMBL86404 0.88 HDAC8 (0.35) KDM4EALDH1A1PTAFRMAPTHDAC8
SCHEMBL86636 0.87 HDAC8 (0.34) KDM4EALDH1A1PTAFRMAPTHDAC8
SCHEMBL86762 0.84 HCAR3 (0.37) HCAR3PTAFRHDAC8HDAC4NNMT
SCHEMBL86502 0.83 PTAFR (0.43) KDM4EALDH1A1PTAFRMAPTHDAC8
SCHEMBL15119791 0.82 SLC6A2 (0.39) KDM4EALDH1A1PTAFRMAPTHDAC8
SCHEMBL81928 0.82 POLB (0.38) KDM4EALDH1A1PTAFRMAPTNPC1
SCHEMBL81929 0.82 POLB (0.38) KDM4EALDH1A1PTAFRMAPTNPC1

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 HCAR3 1471/4885KDM4E 3603/4885ALDH1A1 4300/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 HCAR3 1868/4885KDM4E 4518/4885ALDH1A1 798/4885

“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.