SCHEMBL86969

SCHEMBL86969

CN(C)c1ccc(C(=O)NC2=Nc3ccccc3C3=NCCN23)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
HDAC4 P56524 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PTAFR P25105 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
DNMT1 P26358 1/20 0.34
RAD52 P43351 1/20 0.34
UHRF1 Q96T88 1/20 0.34
HDAC1 Q13547 2/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
USP30 Q70CQ3 1/20 0.34
F10 P00742 1/20 0.34
MAPK8 P45983 1/20 0.34
HPGD P15428 1/20 0.33
HDAC3 O15379 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
SCHEMBL86625 0.88 HDAC1 (0.41) PIK3CBPIK3CGPTAFRDNMT1RAD52
SCHEMBL86839 0.86 HDAC1 (0.42) HDAC4HDAC8PIK3CBPIK3CGPTAFR
SCHEMBL86960 0.86 HCAR3 (0.40) PIK3CBPIK3CGPTAFRDNMT1RAD52
SCHEMBL86886 0.85 SMN1; SMN2 (0.47) MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL87126 0.85 KCNK3 (0.43) HDAC4HDAC8PIK3CBPIK3CGDNMT1
SCHEMBL86876 0.85 F10 (0.41) PIK3CBPIK3CGHDAC1F10
SCHEMBL86732 0.83 KCNH2 (0.38) TRPV1
SCHEMBL87099 0.83 PTAFR (0.44) PIK3CBPIK3CGPTAFRDNMT1RAD52
SCHEMBL86871 0.82 PIK3CB (0.46) HDAC4HDAC8PIK3CBPIK3CGPTAFR
SCHEMBL86842 0.82 MEN1 (0.39) HDAC4HDAC8PIK3CBPIK3CGPTAFR

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 HPGDS 1213/4885TRPV1 2634/4885HDAC4 1978/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 HPGDS 4107/4885TRPV1 995/4885HDAC4 2855/4885

“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.