SCHEMBL13838687

SCHEMBL13838687

C/N=C\c1cc(Oc2ccc(NC)c(N)c2)ccn1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.34
▸ NR4A1 P22736 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ EGFR P00533 1/20 0.31
▸ MAPK14 Q16539 1/20 0.30

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
SCHEMBL2891665 0.89 KDM4E (0.44) KDRNR4A1SCN9APRKCIKDM4E
SCHEMBL13211123 0.89 KDM4E (0.44) KDRNR4A1SCN9APRKCIKDM4E
SCHEMBL2891666 0.89 KDM4E (0.44) KDRNR4A1SCN9APRKCIKDM4E
SCHEMBL2894893 0.88 KDR (0.38) KDREGFR
SCHEMBL13211132 0.88 KDR (0.38) KDREGFR
SCHEMBL13838688 0.80 HCAR3 (0.40) —
SCHEMBL12329516 0.79 NOS3 (0.50) NR4A1SCN9APRKCIKDM4EMAPK14
SCHEMBL1435338 0.75 ALOX5AP (0.42) KDRNR4A1SCN9APRKCI
SCHEMBL2890910 0.74 P2RX3 (0.38) KDRNR4A1SCN9APRKCIEGFR
SCHEMBL5764943 0.73 RAF1 (0.47) KDRPRKCI

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-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. FORMERLY KNOWN AS CHIRON CORPORATION (US) 2012-11-15 — — 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-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF KDR 1078/4885NR4A1 3218/4885SCN9A 4057/4885

“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.

Send feedback