SCHEMBL86960

SCHEMBL86960

CNc1ccc(C(=O)NC2=Nc3ccccc3C3=NCCN23)cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.40
F10 P00742 5/20 0.39
NNMT P40261 1/20 0.39
DYRK1A Q13627 1/20 0.37
MAPT P10636 1/20 0.37
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
SSTR5 P35346 1/20 0.35
HDAC1 Q13547 1/20 0.35
GRM5 P41594 1/20 0.34
PTAFR P25105 1/20 0.34
DNMT1 P26358 1/20 0.34
RAD52 P43351 1/20 0.34
UHRF1 Q96T88 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL86876 0.91 F10 (0.41) HCAR3F10PIK3CBPIK3CGHDAC1
SCHEMBL86625 0.88 HDAC1 (0.41) MAPTPIK3CBPIK3CGHDAC1GRM5
SCHEMBL86839 0.86 HDAC1 (0.42) NNMTDYRK1APIK3CBPIK3CGHDAC1
SCHEMBL86969 0.86 HPGDS (0.42) F10PIK3CBPIK3CGHDAC1PTAFR
SCHEMBL86886 0.85 SMN1; SMN2 (0.47) MAPTMEN1KMT2A
SCHEMBL12533693 0.85 DNMT1 (0.36) F10MAPTPIK3CBPIK3CGPTAFR
SCHEMBL86732 0.83 KCNH2 (0.38)
SCHEMBL87099 0.83 PTAFR (0.44) MAPTPIK3CBPIK3CGPTAFRDNMT1
SCHEMBL86871 0.82 PIK3CB (0.46) MAPTPIK3CBPIK3CGPTAFRDNMT1
SCHEMBL86842 0.82 MEN1 (0.39) MAPTPIK3CBPIK3CGHDAC1PTAFR

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 1471/4885F10 2878/4885NNMT 1725/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 HCAR3 1868/4885F10 3543/4885NNMT 1720/4885

“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.