SCHEMBL3517285

SCHEMBL3517285

Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)c(Oc2ccc3nc(N)sc3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.42
KDR P35968 5/20 0.42
CYP2C9 P11712 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
RAF1 P04049 1/20 0.39
YES1 P07947 1/20 0.39

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
SCHEMBL2853214 0.86 BRAF (0.41) BRAFKDRCYP2C9RAF1
SCHEMBL2857621 0.86 BRAF (0.53) BRAFKDRCYP2C9RAF1YES1
SCHEMBL2856543 0.86 BRAF (0.46) BRAFKDRCYP2C9RAF1YES1
SCHEMBL2854386 0.83 BRAF (0.51) BRAFKDRCYP2C9
SCHEMBL2861981 0.83 BRAF (0.49) BRAFKDRCYP2C9
SCHEMBL2853965 0.83 BRAF (0.48) BRAFKDRCYP2C9
SCHEMBL2862024 0.83 BRAF (0.56) BRAFKDRCYP2C9
SCHEMBL2857364 0.83 BRAF (0.47) BRAFKDRCYP2C9
SCHEMBL2857374 0.75 BRAF (0.53) BRAFKDRCYP2C9
SCHEMBL2192213 0.75 BRAF (0.47) BRAFKDRCYP2C9RAF1YES1

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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 BRAF 1/4885KDR 983/4885CYP2C9 2054/4885

“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.