SCHEMBL87168

SCHEMBL87168

CC(=O)Nc1ccc(/C(O)=C/C2=Nc3nc(C)ccc3C3=NCCN23)cn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.34
F10 P00742 4/20 0.33
GRM5 P41594 1/20 0.33
PTK2 Q05397 1/20 0.32
PIK3CA P42336 2/20 0.31
HCAR3 P49019 1/20 0.31
MTOR P42345 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
MOK Q9UQ07 1/20 0.31
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL87151 0.83 PIK3CB (0.38) GRIN2BF10GRM5PTK2HCAR3
SCHEMBL86703 0.82 PIK3CB (0.35) GRIN2BF10GRM5PTK2HCAR3
SCHEMBL86681 0.81 ADORA3 (0.32) GRIN2BF10GRM5PTK2
SCHEMBL86801 0.81 F10 (0.33) GRIN2BF10PTK2PIK3CAALDH1A1
SCHEMBL82552 0.80 F10 (0.33) GRIN2BF10GRM5PTK2ALDH1A1
SCHEMBL82553 0.80 F10 (0.33) GRIN2BF10GRM5PTK2ALDH1A1
SCHEMBL82216 0.79 FGFR3 (0.34) GRIN2BF10ALDH1A1CYP1A2
SCHEMBL82215 0.79 FGFR3 (0.34) GRIN2BF10ALDH1A1CYP1A2
SCHEMBL86413 0.79 MET (0.36) F10PIK3CAALDH1A1CYP1A2
SCHEMBL86751 0.78 F10 (0.39) F10

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 GRIN2B 1519/4885F10 2878/4885GRM5 294/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 GRIN2B 1944/4885F10 3543/4885GRM5 3718/4885

“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.