SCHEMBL86459

SCHEMBL86459

Cc1ccc2c(c1)C1=NCCN1C(/C=C(\O)c1cccnc1)=N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.38
PTAFR P25105 3/20 0.36
TGM2 P21980 1/20 0.35
GPR6 P46095 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
CYP3A4 P08684 2/20 0.33
PKM P14618 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
MYH9 P35579 1/20 0.33
MYH10 P35580 1/20 0.33
CASP7 P55210 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
SCHEMBL86693 0.92 HDAC8 (0.40) HDAC8PTAFRTGM2GPR6MEN1
SCHEMBL86837 0.89 PTAFR (0.36) PTAFRGPR6MEN1KMT2APKM
SCHEMBL15119587 0.89 GPR6 (0.37) HDAC8PTAFRGPR6MEN1KMT2A
SCHEMBL86925 0.88 PKM (0.42) HDAC8PTAFRTGM2GPR6LMNA
SCHEMBL86456 0.88 HDAC8 (0.38) HDAC8PTAFRTGM2GPR6LMNA
SCHEMBL86455 0.87 TDP1 (0.41) HDAC8PTAFRLMNAKMT2ACYP3A4
SCHEMBL12533493 0.86 GPR6 (0.34) PTAFRGPR6PKM
SCHEMBL86841 0.86 PTAFR (0.44) HDAC8PTAFRGPR6MEN1KMT2A
SCHEMBL86775 0.86 PTAFR (0.39) PTAFRGPR6PKMALDH1A1CYP19A1
SCHEMBL86773 0.85 PTAFR (0.40) PTAFRGPR6PKMALDH1A1CYP19A1

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 HDAC8 2721/4885PTAFR 119/4885TGM2 2901/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 HDAC8 1788/4885PTAFR 1757/4885TGM2 4557/4885

“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.