SCHEMBL13859627

SCHEMBL13859627

Nc1cc(Oc2ccc(NC(=O)Nc3cc(C4CCCC4)nn3-c3ccccc3)cc2)ncn1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 17/20 0.69
KCNJ3 P48549 17/20 0.69
KCNJ5 P48544 13/20 0.69
BRAF P15056 2/20 0.56
RAF1 P04049 1/20 0.53
NTRK1 P04629 1/20 0.53

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
SCHEMBL4303949 0.92 KCNJ6 (0.58) KCNJ6KCNJ3KCNJ5BRAFRAF1
SCHEMBL4300985 0.80 KCNJ6 (0.50) KCNJ6KCNJ3KCNJ5BRAFNTRK1
SCHEMBL4647983 0.79 KCNJ6 (0.66) KCNJ6KCNJ3KCNJ5BRAF
SCHEMBL1896470 0.78 KDR (0.73) BRAF
SCHEMBL4936063 0.78 KCNJ6 (1.00) KCNJ6KCNJ3KCNJ5BRAF
SCHEMBL4937639 0.77 KCNJ6 (0.80) KCNJ6KCNJ3KCNJ5BRAF
SCHEMBL13234482 0.77 KCNJ6 (0.84) KCNJ6KCNJ3KCNJ5
SCHEMBL13234630 0.77 KCNJ6 (0.75) KCNJ6KCNJ3KCNJ5BRAF
SCHEMBL13234480 0.76 KCNJ6 (0.76) KCNJ6KCNJ3KCNJ5BRAF
SCHEMBL2082434 0.75 KCNJ6 (0.49) KCNJ6KCNJ3KCNJ5BRAFRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131437-A1 DISUBSTITUTED UREAS AS KINASE INHIBITORS CORIUM INTERNATIONAL, INC. (US) 2009-05-21 US 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-20090131437-A1 DISUBSTITUTED UREAS AS KINASE INHIBITORS UCK2, ULK2, MAP3K1 KCNJ6 1465/4885KCNJ3 1539/4885KCNJ5 1287/4885

“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.