SCHEMBL2792952

SCHEMBL2792952

NC(CC(=O)NCc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)Nc2ccncc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.53
EPAS1 Q99814 3/20 0.53
NAMPT P43490 11/20 0.52
ROCK2 O75116 2/20 0.51
ROCK1 Q13464 2/20 0.51
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGS1 P23219 2/20 0.45

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
SCHEMBL2792872 0.93 MTOR (0.50) HIF1AEPAS1NAMPTROCK2ROCK1
SCHEMBL2794103 0.91 ROCK2 (0.57) NAMPTROCK2ROCK1KDM4EL3MBTL1
SCHEMBL13230434 0.91 NAMPT (0.60) NAMPTROCK2ROCK1KDM4EL3MBTL1
SCHEMBL13230439 0.91 NAMPT (0.60) NAMPTROCK2ROCK1KDM4EL3MBTL1
SCHEMBL2795349 0.91 NAMPT (0.60) NAMPTROCK2ROCK1KDM4EL3MBTL1
SCHEMBL2795269 0.90 MLYCD (0.50) HIF1AEPAS1NAMPTROCK2ROCK1
SCHEMBL2794919 0.90 HIF1A (0.52) HIF1AEPAS1NAMPTROCK2ROCK1
Hydrochloric Acid SCHEMBL2790960 0.90 NAMPT (0.59) NAMPTROCK2ROCK1KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL27719878 0.90 NAMPT (0.59) NAMPTROCK2ROCK1KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL2791710 0.90 NAMPT (0.59) NAMPTROCK2ROCK1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168102-A9 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2010-07-01 US disclosed
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2009-05-07 US 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-20100168102-A9 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 HIF1A 1857/4885EPAS1 2609/4885NAMPT 1420/4885
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 HIF1A 1857/4885EPAS1 2609/4885NAMPT 1420/4885

“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.