SCHEMBL2549028

SCHEMBL2549028

CCNC(=O)Nc1cc2cccc(Nc3cccnc3)c2cn1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.57

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
SCHEMBL2553090 0.89
SCHEMBL2551277 0.89
SCHEMBL2551406 0.89 PIK3CA (0.49) PIK3CA
SCHEMBL14860358 0.88 PIK3CA (0.57) PIK3CA
SCHEMBL2552094 0.88 PIK3CA (0.46) PIK3CA
SCHEMBL2550813 0.87 PIK3CA (0.48) PIK3CA
Hydrochloric Acid SCHEMBL2553834 0.87 PIK3CA (0.46) PIK3CA
SCHEMBL2549010 0.86 MAPK1 (0.54) PIK3CA
SCHEMBL2550899 0.86 POLB (0.47) PIK3CA
SCHEMBL2549046 0.86 MAPK1 (0.46)

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 PIK3CA 3066/4885

“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.