SCHEMBL86662

SCHEMBL86662

CC(C)(C)OC(=O)COc1cccc2c1N=C(/C=C(\O)c1cccnc1)N1CCN=C21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
GPR6 P46095 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
LMNA P02545 1/20 0.31
PTAFR P25105 1/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
BCL2 P10415 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GFER P55789 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
SCHEMBL86848 0.89 ALDH1A1 (0.33) ALDH1A1DDB1CRBNPIK3CBMAPT
SCHEMBL86879 0.83 PTAFR (0.37) ALDH1A1GPR6PIK3CBPIK3CGLMNA
SCHEMBL86825 0.83 KMT2A (0.36) ALDH1A1GPR6PIK3CBPIK3CGLMNA
SCHEMBL86815 0.83 PTAFR (0.37) ALDH1A1PTAFRMAPTCYP3A4TSHR
SCHEMBL86428 0.83 CHRNB2 (0.36) ALDH1A1PTAFR
SCHEMBL86663 0.82 PTAFR (0.34) ALDH1A1GPR6PIK3CBPIK3CGLMNA
SCHEMBL86429 0.82 PTAFR (0.33) ALDH1A1PIK3CBPTAFR
SCHEMBL86432 0.82 AOC3 (0.34) ALDH1A1GPR6PIK3CBPIK3CGPTAFR
SCHEMBL29475036 0.79 CYP1A1 (0.35) ALDH1A1CYP3A4TSHR
SCHEMBL82967 0.79 CYP1A1 (0.35) ALDH1A1CYP3A4TSHR

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 ALDH1A1 4300/4885DDB1 2388/4885CRBN 1663/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 ALDH1A1 798/4885DDB1 2054/4885CRBN 3394/4885

“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.