SCHEMBL11995646

SCHEMBL11995646

CC(=O)Nc1nc2ccc(Oc3cccc(NC(=O)c4cccc(C(C)(C)N)c4)c3)c(N)c2s1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 15/20 0.57
▸ KDR P35968 10/20 0.57
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SCD O00767 1/20 0.41
▸ PTGS1 P23219 1/20 0.40

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
SCHEMBL10268735 0.90 KDR (0.70) BRAFKDR
SCHEMBL827228 0.89 BRAF (0.72) BRAFKDR
SCHEMBL11995672 0.87 BRAF (0.49) BRAFKDRNPC1RAB9APOLB
SCHEMBL11995673 0.87 BRAF (0.47) BRAFKDR
SCHEMBL11995455 0.83 BRAF (0.55) BRAFKDRNPC1RAB9A
SCHEMBL823627 0.82 BRAF (0.84) BRAFKDR
SCHEMBL15139583 0.82 BRAF (0.70) BRAFKDR
SCHEMBL10264784 0.81 KDR (0.69) BRAFKDR
SCHEMBL823666 0.81 BRAF (0.83) BRAFKDR
SCHEMBL10265243 0.81 KDR (0.84) BRAFKDR

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 BRAF 1/4885KDR 1130/4885NPC1 4128/4885

“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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