SCHEMBL86722

SCHEMBL86722

CC(C)(C)OC(=O)CCc1ccc2c(n1)N=C(/C=C(\O)c1cccnc1)N1CCN=C21

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.32
TBXA2R P21731 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
GPR6 P46095 1/20 0.32
P2RY12 Q9H244 1/20 0.32
GBA1 P04062 1/20 0.31
ALDH1A1 P00352 2/20 0.31
BCL2 P10415 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 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
SCHEMBL86909 0.88 TBXAS1 (0.38) TBXAS1TBXA2RGPR6PIK3CBPIK3CG
SCHEMBL86928 0.85 TBXAS1 (0.41) TBXAS1TBXA2R
SCHEMBL87207 0.84 TBXAS1 (0.42) TBXAS1TBXA2R
SCHEMBL86790 0.82 MAPT (0.34) TBXAS1GPR6ALDH1A1PIK3CBPIK3CG
SCHEMBL87192 0.79 NAMPT (0.35) GPR6ALDH1A1
SCHEMBL86793 0.78 ALDH1A1 (0.40) ALDH1A1GAA
SCHEMBL86662 0.78 ALDH1A1 (0.38) GPR6ALDH1A1BCL2LMNAGAA
SCHEMBL86848 0.77 ALDH1A1 (0.33) ALDH1A1KDM4EPIK3CB
SCHEMBL86825 0.73 KMT2A (0.36) GPR6ALDH1A1LMNAPIK3CBPIK3CG
SCHEMBL87190 0.72 HDAC1 (0.39) TBXAS1GPR6ALDH1A1KDM4E

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 TBXAS1 473/4885TBXA2R 414/4885CCNA2 1096/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 TBXAS1 2096/4885TBXA2R 1224/4885CCNA2 53/4885

“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.