SCHEMBL16195058

SCHEMBL16195058

Cc1ccc(N(COCC[Si](C)(C)C)C(=O)c2cccc(C(C)(C)C#N)c2)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 16/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP2C9 P11712 5/20 0.37
▸ HDAC8 Q9BY41 3/20 0.36
▸ RAF1 P04049 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL16195352 0.81 BRAF (0.33) BRAFCYP2C9RAF1
SCHEMBL13837918 0.78 HDAC8 (0.36) HDAC8HDAC11HDAC6
SCHEMBL16195229 0.78 BRAF (0.35) BRAFCYP2C9RAF1
SCHEMBL13837919 0.70 NPC1 (0.32) HDAC8HDAC11HDAC6
SCHEMBL13838150 0.67 GRM4 (0.35) —
SCHEMBL13736827 0.67 BRAF (0.65) BRAFCYP2C9RAF1
SCHEMBL1368413 0.63 CYP4F2 (0.48) BRAFMEN1KMT2ACYP2C9
SCHEMBL30558289 0.62 BRAF (0.35) BRAFCYP2C9
SCHEMBL825726 0.61 RXRA (0.49) BRAFCYP2C9
SCHEMBL29537057 0.61 RXRA (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 1/4885MEN1 764/4885KMT2A 1336/4885

“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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