SCHEMBL16195352

SCHEMBL16195352

Cc1ccc(N(COCC[Si](C)(C)C)C(=O)c2cccc(C(C)(C)C#N)c2)cc1-n1c(=O)n(C)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 18/20 0.33
▸ RAF1 P04049 4/20 0.33
▸ YES1 P07947 1/20 0.32
▸ CYP2C9 P11712 5/20 0.32
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ PIK3CG P48736 1/20 0.31

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
SCHEMBL13837919 0.90 NPC1 (0.32) —
SCHEMBL16195058 0.81 BRAF (0.38) BRAFRAF1CYP2C9
SCHEMBL16195229 0.77 BRAF (0.35) BRAFRAF1CYP2C9
SCHEMBL16194905 0.73 BRAF (0.54) BRAFRAF1YES1CYP2C9
SCHEMBL13837918 0.70 HDAC8 (0.36) —
SCHEMBL13838150 0.68 GRM4 (0.35) —
SCHEMBL16195447 0.66 BRPF1 (0.56) BRAFRAF1YES1CYP2C9
SCHEMBL13837940 0.62 EPHB4 (0.51) BRAF
SCHEMBL29448779 0.57 PARP1 (0.49) BRAFCYP2C9
SCHEMBL16380694 0.57 PARP1 (0.49) BRAFCYP2C9

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 3 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 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 1/4885RAF1 2/4885YES1 272/4885

“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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