SCHEMBL11995454

SCHEMBL11995454

Nc1c(Oc2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2)ccc2nc(NC(=O)C3CC3)sc12

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 19/20 0.79
▸ BRAF P15056 18/20 0.79
▸ RIPK1 Q13546 1/20 0.51
▸ RIPK3 Q9Y572 1/20 0.51

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
SCHEMBL823606 0.88 BRAF (1.00) KDRBRAFRIPK1RIPK3
SCHEMBL13332052 0.84 KDR (0.58) KDRBRAFRIPK1RIPK3
SCHEMBL11995719 0.82 BRAF (0.62) KDRBRAFRIPK1RIPK3
SCHEMBL10268735 0.82 KDR (0.70) KDRBRAFRIPK1RIPK3
SCHEMBL11995455 0.81 BRAF (0.55) KDRBRAF
SCHEMBL823678 0.80 KDR (0.84) KDRBRAFRIPK1RIPK3
SCHEMBL823549 0.78 BRAF (0.82) KDRBRAFRIPK1RIPK3
SCHEMBL823627 0.78 BRAF (0.84) KDRBRAFRIPK1RIPK3
SCHEMBL823531 0.77 BRAF (0.81) KDRBRAFRIPK1RIPK3
SCHEMBL823624 0.77 BRAF (1.00) KDRBRAFRIPK1RIPK3

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-20120214855-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — 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-20120214855-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 KDR 1130/4885BRAF 1/4885RIPK1 736/4885

“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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