SCHEMBL82253

SCHEMBL82253

COCOc1ccc2c(c1OC)N=C(/C=C(/O)c1cccnc1)N1CCN=C21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A1 P04798 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP1B1 Q16678 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
PTAFR P25105 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.31
PIK3CB P42338 2/20 0.31
TSHR P16473 1/20 0.31
PDGFRB P09619 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
SCHEMBL86380 1.00 KDM4E (0.32) KDM4EALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL82254 1.00 KDM4E (0.32) KDM4EALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL86675 0.92 KMT2A (0.33) KDM4EALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL82158 0.91 CYP1A1 (0.39) KDM4EALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL29475061 0.91 CYP1A1 (0.39) KDM4EALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL86657 0.91 CYP1A1 (0.39) KDM4EALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL82157 0.91 CYP1A1 (0.39) KDM4EALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL82120 0.91 PTAFR (0.33) KDM4EALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL86385 0.91 PTAFR (0.33) KDM4EALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL87081 0.91 KDM4E (0.32) KDM4EALDH1A1CYP1A1CYP1A2CYP1B1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 EP disclosed
US-20060128732-A1 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2006-06-15 US disclosed
EP-1549652-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES Bayer Pharmaceuticals Corporation (US) 2005-07-06 EP disclosed
WO-2004029055-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2004-04-08 WO 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 KDM4E 3603/4885ALDH1A1 4300/4885CYP1A1 2686/4885
US-20060128732-A1 Fused azole-pyrimidine derivatives PIK3CA, PIK3CD, PIK3CG KDM4E 3870/4885ALDH1A1 4097/4885CYP1A1 3065/4885

“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.