SCHEMBL14967196

SCHEMBL14967196

Cc1cc(C(F)(F)F)nc(O)c1CN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
LOXL2 Q9Y4K0 7/20 0.39
LOX P28300 4/20 0.38
TLR7 Q9NYK1 1/20 0.32
CDK8 P49336 1/20 0.32
CDK19 Q9BWU1 1/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
TKT P29401 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HTR1D P28221 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 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
SCHEMBL12499744 0.76 POLB (0.40) KDM4ELMNATKTMEN1KMT2A
SCHEMBL23269409 0.71 HSP90AA1 (0.39) HSP90AA1HSP90AB1CDK8CDK19KDM4E
SCHEMBL2527350 0.69 TRPV1 (0.47) LOXL2LOX
SCHEMBL23269422 0.69 HSP90AA1 (0.40) HSP90AA1HSP90AB1KDM4ELMNAMEN1
SCHEMBL29464842 0.69 HSP90AA1 (0.37) HSP90AA1HSP90AB1KDM4ELMNATKT
SCHEMBL14966612 0.69 ALDH1A1 (0.44) HSP90AA1HSP90AB1KDM4ELMNAMEN1
SCHEMBL31214299 0.69 ALDH1A1 (0.43) HSP90AA1HSP90AB1CDK8CDK19KDM4E
SCHEMBL23269465 0.69 HSP90AA1 (0.37) HSP90AA1HSP90AB1KDM4ELMNATKT
SCHEMBL9565873 0.69 ALDH1A1 (0.43) HSP90AA1HSP90AB1CDK8CDK19KDM4E
Hydrochloric Acid SCHEMBL17874265 0.66 ALDH1A1 (0.39) HSP90AA1HSP90AB1LOXL2LOXKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2014-09-25 US disclosed
EP-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 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 (1 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-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 HSP90AA1 3685/4885HSP90AB1 3512/4885LOXL2 1099/4885

“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.