SCHEMBL4120001

SCHEMBL4120001

Cc1ccc(C(=O)NC2CC2c2ccccc2)cc1C(=O)Nc1cnc2[nH]ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.46
PIK3CA P42336 3/20 0.45
MTOR P42345 3/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
KIT P10721 3/20 0.44
ABL1 P00519 2/20 0.42
SRC P12931 1/20 0.42
BRAF P15056 5/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDR P35968 1/20 0.39
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39

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
SCHEMBL1366968 0.90 BRAF (0.50) EPHX2PIK3CAMTORROCK2ROCK1
SCHEMBL1366386 0.87 EPHX2 (0.47) EPHX2PIK3CAMTORROCK2ROCK1
SCHEMBL1369010 0.87 EPHX2 (0.47) EPHX2PIK3CAMTORROCK2ROCK1
SCHEMBL1367425 0.83 KIT (0.56) PIK3CAMTORKITABL1SRC
SCHEMBL1367427 0.79 KIT (0.56) PIK3CAMTORKITABL1BRAF
SCHEMBL17420246 0.78 NPC1 (0.55) PIK3CAMTORKITBRAFNPC1
SCHEMBL4114192 0.78 PIK3CA (0.55) PIK3CAMTORKITABL1SRC
SCHEMBL2951696 0.74 KIT (0.69) PIK3CAMTORKITSRCBRAF
SCHEMBL1367204 0.74 KIT (0.50) PIK3CAMTORKITABL1SRC
SCHEMBL1367703 0.74 PIK3CA (0.60) PIK3CAMTORKITABL1SRC

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-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE, INC. 2009-12-24 US claimed
EP-2064213-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2009-06-03 EP claimed
WO-2008028617-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 WO claimed
US-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE, INC. 2009-12-24 US disclosed
EP-2064213-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2009-06-03 EP disclosed
WO-2008028617-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 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-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K5, MAP3K1, PRKACA EPHX2 3095/4885PIK3CA 155/4885MTOR 64/4885

“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.