SCHEMBL86919

SCHEMBL86919

N#Cc1ccc(/C(O)=C/C2=Nc3ccccc3C3=NCCN23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
HDAC1 Q13547 1/20 0.38
MAOB P27338 2/20 0.37
DNMT1 P26358 1/20 0.36
RAD52 P43351 1/20 0.36
UHRF1 Q96T88 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PTAFR P25105 6/20 0.35
EED O75530 2/20 0.33
HDAC3 O15379 1/20 0.33
DCAF15 Q66K64 1/20 0.33
POLB P06746 1/20 0.32
SMARCA2 P51531 1/20 0.32
DRD1 P21728 2/20 0.32
DRD2 P14416 1/20 0.32

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
SCHEMBL86484 0.88 PIK3CB (0.44) HDAC4HDAC8DNMT1RAD52UHRF1
SCHEMBL86735 0.84 PTAFR (0.43) HDAC4HDAC8DNMT1RAD52UHRF1
SCHEMBL86918 0.82 PTAFR (0.47) HDAC4HDAC8DNMT1RAD52UHRF1
SCHEMBL86738 0.81 HDAC8 (0.39) HDAC4HDAC8HDAC7HDAC6HDAC5
SCHEMBL86779 0.80 PIK3CB (0.35) HDAC4HDAC8HDAC7HDAC6HDAC5
SCHEMBL86756 0.79 PIK3CB (0.36) HDAC4HDAC8DNMT1RAD52UHRF1
SCHEMBL87149 0.79 ALDH1A1 (0.40) PIK3CBPIK3CGPOLB
SCHEMBL87160 0.79 PIK3CB (0.39) HDAC4HDAC8DNMT1RAD52UHRF1
SCHEMBL86477 0.79 PIK3CB (0.39) HDAC4HDAC8HDAC5DNMT1RAD52
SCHEMBL86841 0.79 PTAFR (0.44) HDAC4HDAC8DNMT1RAD52UHRF1

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 HDAC4 1978/4885HDAC8 2721/4885HDAC7 1919/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 HDAC4 2855/4885HDAC8 1788/4885HDAC7 1512/4885

“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.