SCHEMBL16194905

SCHEMBL16194905

Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1-n1c(=O)n(C)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 20/20 0.54
▸ CYP2C9 P11712 5/20 0.54
▸ RAF1 P04049 5/20 0.53
▸ YES1 P07947 1/20 0.52

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
SCHEMBL16195447 0.89 BRPF1 (0.56) BRAFCYP2C9RAF1YES1
SCHEMBL13837940 0.88 EPHB4 (0.51) BRAF
SCHEMBL14819854 0.79 BRAF (0.69) BRAFCYP2C9RAF1YES1
SCHEMBL13735473 0.78 BRAF (0.54) BRAFCYP2C9RAF1YES1
SCHEMBL2196658 0.77 BRAF (0.66) BRAFCYP2C9RAF1YES1
SCHEMBL13734662 0.77 BRAF (0.53) BRAFCYP2C9RAF1YES1
SCHEMBL1698068 0.76 BRAF (0.65) BRAFCYP2C9RAF1YES1
SCHEMBL1697887 0.76 BRAF (0.68) BRAFCYP2C9RAF1YES1
SCHEMBL13736827 0.76 BRAF (0.65) BRAFCYP2C9RAF1YES1
SCHEMBL1697994 0.76 BRAF (0.74) BRAFCYP2C9RAF1YES1

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
US-20140323519-A1 HETEROCYCLIC COMPOUNDS AS B-RAF INHIBITORS FOR TREATMENT OF CANCER MERCK SHARP & DOHME CORP. (US) 2014-10-30 — — US claimed
US-20140323519-A1 HETEROCYCLIC COMPOUNDS AS B-RAF INHIBITORS FOR TREATMENT OF CANCER MERCK SHARP & DOHME CORP. (US) 2014-10-30 — — US disclosed
US-20140323519-A1 HETEROCYCLIC COMPOUNDS AS B-RAF INHIBITORS FOR TREATMENT OF CANCER MERCK SHARP & DOHME CORP. (US) 2014-10-30 — — US disclosed
US-20140323519-A1 HETEROCYCLIC COMPOUNDS AS B-RAF INHIBITORS FOR TREATMENT OF CANCER MERCK SHARP & DOHME CORP. (US) 2014-10-30 — — 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-20140323519-A1 HETEROCYCLIC COMPOUNDS AS B-RAF INHIBITORS FOR TREATMENT OF CANCER BRAF, RAF1, NRAS BRAF 1/4885CYP2C9 2859/4885RAF1 2/4885

“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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