SCHEMBL2118404

SCHEMBL2118404

CC(C)(C)C(N)C(=O)Nc1cc(-c2cccc3ccccc23)c2nc(/C=C/P(=O)(O)O)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 5/20 0.37
AKT1 P31749 2/20 0.33
ROCK2 O75116 2/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
FGFR3 P22607 1/20 0.33
GSK3A P49840 1/20 0.33
RPS6KA3 P51812 1/20 0.33
LIMK1 P53667 1/20 0.33
PRKCD Q05655 1/20 0.33
ROCK1 Q13464 1/20 0.33
DYRK1A Q13627 1/20 0.33
CDC42BPA Q5VT25 1/20 0.33
CIT O14578 1/20 0.33
FNTA P49354 5/20 0.33
PGGT1B P53609 5/20 0.33
FNTB P49356 3/20 0.33
XIAP P98170 1/20 0.32
ALOX5 P09917 1/20 0.31
KLK7 P49862 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
SCHEMBL2118426 1.00 CMA1 (0.37) CMA1AKT1ROCK2PIM1PRKACA
SCHEMBL2118631 0.85 KLK7 (0.46) CMA1KLK7
SCHEMBL2118629 0.85 KLK7 (0.46) CMA1KLK7
SCHEMBL2118471 0.84 HDAC4 (0.34) CMA1
SCHEMBL2118457 0.84 HDAC4 (0.34) CMA1
SCHEMBL2118376 0.83 KLK7 (0.37) CMA1KLK7
SCHEMBL2118373 0.83 KLK7 (0.37) CMA1KLK7
SCHEMBL2120505 0.79 KEAP1 (0.36)
SCHEMBL2120508 0.79 KEAP1 (0.36)
SCHEMBL2115796 0.78 RAB9A (0.50) ROCK2ROCK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US claimed
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 EP claimed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 WO claimed
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 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 (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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE FDPS, GGPS1, CTPS1 CMA1 3602/4885AKT1 2233/4885ROCK2 1708/4885

“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.