SCHEMBL86844

SCHEMBL86844

CCCNc1ccc(/C(O)=C/C2=Nc3ccccc3C3=NCCN23)cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.42
PTAFR P25105 2/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
ADRA1A P35348 1/20 0.33
FYN P06241 1/20 0.32
CNR2 P34972 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DNMT1 P26358 1/20 0.31
RAD52 P43351 1/20 0.31
UHRF1 Q96T88 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
F10 P00742 1/20 0.31
EED O75530 1/20 0.31
DCAF15 Q66K64 1/20 0.31

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
SCHEMBL86762 0.88 HCAR3 (0.37) HCAR3PTAFRPIK3CBPIK3CGDNMT1
SCHEMBL87151 0.84 PIK3CB (0.38) HCAR3PTAFRPIK3CBPIK3CGALDH1A1
SCHEMBL86756 0.82 PIK3CB (0.36) PTAFRPIK3CBPIK3CGDNMT1RAD52
SCHEMBL86484 0.78 PIK3CB (0.44) PTAFRPIK3CBPIK3CGDNMT1RAD52
SCHEMBL86415 0.78 HCAR3 (0.33) HCAR3PTAFRADRA1AFYNHPGD
SCHEMBL86633 0.78 HCAR3 (0.37) HCAR3PTAFRHPGDSMN1; SMN2ALDH1A1
SCHEMBL86841 0.76 PTAFR (0.44) PTAFRPIK3CBPIK3CGSMN1; SMN2DNMT1
SCHEMBL86918 0.75 PTAFR (0.47) PTAFRPIK3CBPIK3CGSMN1; SMN2DNMT1
SCHEMBL86735 0.74 PTAFR (0.43) PTAFRPIK3CBPIK3CGDNMT1RAD52
SCHEMBL86865 0.74 PTAFR (0.41) PTAFRPIK3CBPIK3CGDNMT1RAD52

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 HCAR3 1471/4885PTAFR 119/4885PIK3CB 5/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 HCAR3 1868/4885PTAFR 1757/4885PIK3CB 570/4885

“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.