SCHEMBL2553793

SCHEMBL2553793

CCNC(=O)Nc1cc2cc(-c3cccc(NC(C)=O)c3)cc(Cl)c2cn1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.51
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
PIK3CA P42336 2/20 0.44
MAPK8 P45983 2/20 0.44
MAPK9 P45984 2/20 0.44
MAPK10 P53779 2/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL2551663 0.89 CDK8 (0.52) CDK8PIK3CAMAPK8MAPK9MAPK10
SCHEMBL2551657 0.83 PIK3CA (0.51) PIK3CA
SCHEMBL2564472 0.82 JAK2 (0.46) JAK2JAK1TYK2MAPK1
SCHEMBL2549194 0.78 PIK3CA (0.49) CDK8PIK3CAMAPK8MAPK9MAPK10
SCHEMBL2550821 0.78
SCHEMBL2550899 0.78 POLB (0.47) PIK3CAMAPK8MAPK9MAPK10
SCHEMBL2548423 0.78 ABL1 (0.52) PIK3CAMAPK1
SCHEMBL2576815 0.78 MAPK1 (0.45) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL2551659 0.76 MAPK1 (0.48) MAPK1
SCHEMBL2548194 0.76 PIK3CA (0.57) CDK8PIK3CAMAPK8MAPK9MAPK10

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
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 CDK8 3864/4885JAK2 682/4885JAK1 2189/4885

“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.