SCHEMBL86404

SCHEMBL86404

COc1cc2c(cc1OC)C1=NCCN1C(/C=C(\O)c1ccc(C)nc1)=N2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.35
PTAFR P25105 3/20 0.35
HDAC4 P56524 1/20 0.35
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
PDE10A Q9Y233 1/20 0.32
GAA P10253 2/20 0.32
THRB P10828 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 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
SCHEMBL86636 0.89 HDAC8 (0.34) HDAC8PTAFRHDAC4ALDH1A1KDM4E
SCHEMBL86631 0.88 HCAR3 (0.34) HDAC8PTAFRHDAC4ALDH1A1KDM4E
SCHEMBL29475063 0.86 POLB (0.38) PTAFRALDH1A1KDM4EHPGDMAPT
SCHEMBL82378 0.86 POLB (0.38) PTAFRALDH1A1KDM4EHPGDMAPT
SCHEMBL81928 0.86 POLB (0.38) PTAFRALDH1A1KDM4EHPGDMAPT
SCHEMBL86502 0.86 PTAFR (0.43) HDAC8PTAFRHDAC4ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL82886 0.85 POLB (0.38) PTAFRALDH1A1KDM4EHPGDMAPT
Hydrochloric Acid SCHEMBL82887 0.85 POLB (0.38) PTAFRALDH1A1KDM4EHPGDMAPT
SCHEMBL86633 0.85 HCAR3 (0.37) HDAC8PTAFRHDAC4ALDH1A1KDM4E
SCHEMBL15119791 0.85 SLC6A2 (0.39) HDAC8PTAFRHDAC4ALDH1A1KDM4E

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-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 HDAC8 2721/4885PTAFR 119/4885HDAC4 1978/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 HDAC8 1788/4885PTAFR 1757/4885HDAC4 2855/4885

“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.