SCHEMBL13736288

SCHEMBL13736288

COc1ccc2c(c1)CCN(c1cc(NC(=O)c3cccc(C(C)(C)C#N)c3)ccc1C)C2=O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 15/20 0.53
▸ RAF1 P04049 4/20 0.50
▸ SRC P12931 4/20 0.48
▸ JAK2 O60674 3/20 0.48
▸ CYP2C9 P11712 4/20 0.47
▸ JAK1 P23458 1/20 0.46
▸ YES1 P07947 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46

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
SCHEMBL13734976 0.89 BRAF (0.54) BRAFRAF1SRCJAK2CYP2C9
SCHEMBL13734640 0.88 BRAF (0.55) BRAFRAF1CYP2C9YES1
SCHEMBL13734662 0.82 BRAF (0.53) BRAFRAF1SRCCYP2C9YES1
SCHEMBL16195447 0.77 BRPF1 (0.56) BRAFRAF1CYP2C9YES1
SCHEMBL13735473 0.76 BRAF (0.54) BRAFRAF1CYP2C9YES1
SCHEMBL14481050 0.74 JAK2 (0.86) BRAFSRCJAK2JAK1MAPK14
SCHEMBL14819854 0.73 BRAF (0.69) BRAFRAF1CYP2C9YES1
SCHEMBL16195581 0.72 BRAF (0.53) BRAFRAF1CYP2C9YES1
SCHEMBL1697887 0.72 BRAF (0.68) BRAFRAF1CYP2C9YES1
SCHEMBL13736193 0.71 BRAF (0.51) BRAFRAF1CYP2C9YES1

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 8 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
EP-2701507-A1 HETEROCYCLIC COMPOUNDS AS B-RAF INHIBITORS FOR TREATMENT OF CANCER Merck Sharp & Dohme Corp. (US) 2014-03-05 — — EP claimed
WO-2012148792-A1 HETEROCYCLIC COMPOUNDS AS B-RAF INHIBITORS FOR TREATMENT OF CANCER MERCK SHARP & DOHME CORP. (US) 2012-11-01 — — WO 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
EP-2701507-A1 HETEROCYCLIC COMPOUNDS AS B-RAF INHIBITORS FOR TREATMENT OF CANCER Merck Sharp & Dohme Corp. (US) 2014-03-05 — — EP disclosed
WO-2012148792-A1 HETEROCYCLIC COMPOUNDS AS B-RAF INHIBITORS FOR TREATMENT OF CANCER MERCK SHARP & DOHME CORP. (US) 2012-11-01 — — WO 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 2/4885SRC 694/4885

“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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