SCHEMBL2856543

SCHEMBL2856543

Cc1ccc(Oc2ccc3nc(N)sc3n2)cc1NC(=O)c1cccc(C(C)(C)C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.46
KDR P35968 6/20 0.44
RAF1 P04049 1/20 0.44
YES1 P07947 1/20 0.44
CYP2C9 P11712 4/20 0.43
HCK P08631 1/20 0.42
NR2C2 P49116 1/20 0.42
BTK Q06187 1/20 0.42

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
SCHEMBL2192213 0.88 BRAF (0.47) BRAFKDRRAF1YES1CYP2C9
SCHEMBL2862024 0.88 BRAF (0.56) BRAFKDRCYP2C9
SCHEMBL2860356 0.87 BRAF (0.49) BRAFKDRRAF1YES1CYP2C9
SCHEMBL2851235 0.86 KDR (0.62) BRAFKDRRAF1
SCHEMBL2854022 0.86 KDR (0.47) BRAFKDRRAF1YES1CYP2C9
SCHEMBL3517285 0.86 BRAF (0.42) BRAFKDRRAF1YES1CYP2C9
SCHEMBL2857621 0.86 BRAF (0.53) BRAFKDRRAF1YES1CYP2C9
SCHEMBL2853938 0.84 KDR (0.47) BRAFKDR
SCHEMBL2855455 0.83 KDR (0.45) BRAFKDRRAF1YES1CYP2C9
SCHEMBL2851307 0.83 BRAF (0.56) BRAFRAF1YES1CYP2C9HCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP 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 983/4885RAF1 3/4885

“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.