SCHEMBL16872810

SCHEMBL16872810

Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1cccc2cnccc12

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 3/20 0.60
▸ BRAF P15056 2/20 0.57
▸ MAPK14 Q16539 1/20 0.57
▸ TRPV1 Q8NER1 13/20 0.53
▸ KDR P35968 2/20 0.50
▸ FLT1 P17948 1/20 0.50

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
SCHEMBL16735356 0.83 RAF1 (0.84) RAF1BRAFMAPK14TRPV1KDR
SCHEMBL16735355 0.81 RAF1 (0.66) RAF1BRAFMAPK14TRPV1KDR
SCHEMBL16735227 0.80 BRAF (0.73) RAF1BRAFMAPK14KDR
SCHEMBL13459592 0.79 RIPK1 (0.69) TRPV1KDRFLT1
SCHEMBL19376853 0.78 KDR (0.55) RAF1BRAFMAPK14TRPV1KDR
SCHEMBL16735269 0.75 RAF1 (1.00) RAF1BRAFKDR
SCHEMBL2679751 0.74 NAMPT (0.64) BRAFMAPK14TRPV1KDR
SCHEMBL10054909 0.74 NAMPT (0.64) BRAFMAPK14TRPV1KDR
SCHEMBL2679749 0.74 NAMPT (0.64) BRAFMAPK14TRPV1KDR
SCHEMBL4548992 0.73 KDR (0.72) RAF1BRAFMAPK14KDRFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388165-B2 Isoquinoline-5-carboxamide derivative having inhibitory activity for protein kinase HANMI PHARM. CO., LTD. (KR) 2016-07-12 — — US disclosed
US-20150191450-A1 ISOQUINOLINE-5-CARBOXAMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM. CO., LTD. (KR) 2015-07-09 — — 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-20150191450-A1 ISOQUINOLINE-5-CARBOXAMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE CSNK1A1, MAP3K5, MAP4K2 RAF1 96/4885BRAF 204/4885MAPK14 89/4885

“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.

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