SCHEMBL16872811

SCHEMBL16872811

Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1-c1nccc2c(C(N)=O)cccc12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.57
▸ RAF1 P04049 3/20 0.56
▸ KDR P35968 4/20 0.49
▸ BRAF P15056 5/20 0.49
▸ TRPV1 Q8NER1 3/20 0.48
▸ MAPK14 Q16539 1/20 0.47
▸ RET P07949 1/20 0.47
▸ CA9 Q16790 2/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46

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 0.78 RAF1 (0.84) RIPK1RAF1KDRBRAFTRPV1
SCHEMBL13553004 0.77 KDR (0.58) RIPK1KDRBRAFTRPV1
SCHEMBL13459579 0.75 RIPK1 (0.79) RIPK1RAF1KDRTRPV1CA9
SCHEMBL16735355 0.75 RAF1 (0.66) RIPK1RAF1KDRBRAFTRPV1
SCHEMBL3235295 0.74 KDR (0.64) RIPK1KDRBRAFTRPV1MAPK14
SCHEMBL16735269 0.72 RAF1 (1.00) RIPK1RAF1KDRBRAF
SCHEMBL4548243 0.72 KDR (0.80) KDRTRPV1CA9CA1CA2
SCHEMBL14146746 0.71 KDR (0.74) KDRTRPV1CA9CA1CA2
SCHEMBL30503358 0.71 KDR (0.65) RIPK1RAF1KDRBRAFTRPV1
SCHEMBL13556584 0.70 KDR (0.82) KDRTRPV1CA9CA1CA2

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 RIPK1 396/4885RAF1 96/4885KDR 1778/4885

“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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