SCHEMBL2551771

SCHEMBL2551771

CCNC(=O)Nc1cc2cccc(Nc3ccnc(OC)c3)c2cn1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
PIK3CA P42336 3/20 0.44
MAPK8 P45983 3/20 0.44
MAPK9 P45984 3/20 0.44
MAPK10 P53779 3/20 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
SCHEMBL2548756 0.88 PIK3CA (0.57) PIK3CAMAPK8MAPK9MAPK10
SCHEMBL2551277 0.87
SCHEMBL2549715 0.86 JAK2 (0.44) JAK2JAK1TYK2PIK3CAMAPK8
SCHEMBL2549193 0.86 PIK3CA (0.51) PIK3CAMAPK8MAPK9MAPK10
SCHEMBL2551406 0.84 PIK3CA (0.49) PIK3CAMAPK8MAPK9MAPK10
SCHEMBL2551190 0.84 MAPK10 (0.46) JAK2JAK1TYK2PIK3CAMAPK8
SCHEMBL2552424 0.83 PIK3CA (0.48) PIK3CAMAPK8MAPK9MAPK10
Hydrochloric Acid SCHEMBL2553656 0.83 MAPK10 (0.45) JAK2JAK1TYK2PIK3CAMAPK8
SCHEMBL2551274 0.83 MAPK1 (0.49)
SCHEMBL2551275 0.83 PIK3CA (0.45) PIK3CAMAPK8MAPK9MAPK10

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 JAK2 682/4885JAK1 2189/4885TYK2 3461/4885

“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.