SCHEMBL2554517

SCHEMBL2554517

CCNC(=O)Nc1cc2cccc(-c3ccc(C(=O)O)cc3)c2cn1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
PIK3CA P42336 1/20 0.49
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49
MAPK10 P53779 1/20 0.49

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
SCHEMBL2555074 0.91 MAPK1 (0.49) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL2545595 0.83
SCHEMBL2554527 0.83 MAPK1 (0.52) MAPK1
SCHEMBL2551947 0.82 FGFR1 (0.53)
SCHEMBL12814907 0.80
SCHEMBL2549819 0.79 PIK3CA (0.47) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL2554487 0.79 MAPK1 (0.50) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL2555222 0.78 MAPK1 (0.50) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL2547181 0.78 MAPK1 (0.47) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL20525170 0.78 MAPK1 (0.47) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552893-B1 ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-10-29 EP claimed
US-20130096119-A1 Isoquinolin-3-Ylurea Derivatives BUR DANIEL (CH) 2013-04-18 US claimed
EP-2552893-A1 ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2013-02-06 EP claimed
WO-2011121555-A1 ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-06 WO claimed
EP-2552893-B1 ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-10-29 EP disclosed
US-20130096119-A1 Isoquinolin-3-Ylurea Derivatives BUR DANIEL (CH) 2013-04-18 US disclosed
EP-2552893-A1 ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2013-02-06 EP disclosed
WO-2011121555-A1 ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-06 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-20130096119-A1 Isoquinolin-3-Ylurea Derivatives CLIC1, IRF3, KCNH3 MAPK1 3610/4885PIK3CA 3066/4885MAPK8 4535/4885

“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.