SCHEMBL86703

SCHEMBL86703

CC(=O)Nc1ccc(/C(O)=C/C2=Nc3c(C)cccc3C3=NCCN23)cn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
GRIN2B Q13224 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
KIT P10721 1/20 0.33
KDR P35968 1/20 0.33
MAPK14 Q16539 1/20 0.33
ALDH1A1 P00352 1/20 0.33
F10 P00742 4/20 0.33
PTK2 Q05397 1/20 0.32
NUDT1 P36639 2/20 0.32
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.31
GRM5 P41594 1/20 0.31
HCAR3 P49019 1/20 0.31
HPGD P15428 1/20 0.31
BRAF P15056 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
SCHEMBL86801 0.88 F10 (0.33) PIK3CBPIK3CGGRIN2BHDAC8KIT
SCHEMBL87151 0.86 PIK3CB (0.38) PIK3CBPIK3CGGRIN2BALDH1A1F10
SCHEMBL86681 0.86 ADORA3 (0.32) GRIN2BKITKDRMAPK14F10
SCHEMBL86771 0.84 MOK (0.37) F10
SCHEMBL82552 0.83 F10 (0.33) GRIN2BHDAC8ALDH1A1F10PTK2
SCHEMBL82553 0.83 F10 (0.33) GRIN2BHDAC8ALDH1A1F10PTK2
SCHEMBL82216 0.83 FGFR3 (0.34) GRIN2BALDH1A1F10KDM4ERAB9A
SCHEMBL82215 0.83 FGFR3 (0.34) GRIN2BALDH1A1F10KDM4ERAB9A
SCHEMBL87168 0.82 GRIN2B (0.34) PIK3CBPIK3CGGRIN2BALDH1A1F10
SCHEMBL82551 0.81 THRB (0.33) ALDH1A1F10KDM4ERAB9A

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 PIK3CB 5/4885PIK3CG 4/4885GRIN2B 1519/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 PIK3CB 570/4885PIK3CG 866/4885GRIN2B 1944/4885

“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.