SCHEMBL3983756

SCHEMBL3983756

CN(C)CCCn1c(-c2ccncc2)cc2c(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ncnc21

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 16/20 0.58
▸ TRPV4 Q9HBA0 4/20 0.54
▸ RAF1 P04049 1/20 0.47
▸ MAPK14 Q16539 1/20 0.47

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
SCHEMBL3983734 0.86 BRAF (0.59) BRAFTRPV4
SCHEMBL3978261 0.83 BRAF (0.53) BRAFTRPV4RAF1MAPK14
SCHEMBL3977979 0.74 BRAF (0.70) BRAF
SCHEMBL3978525 0.74 BRAF (1.00) BRAF
SCHEMBL3975710 0.74 BRAF (0.57) BRAFRAF1MAPK14
SCHEMBL3982343 0.71 BRAF (1.00) BRAF
SCHEMBL4205781 0.70 BRAF (0.55) BRAF
SCHEMBL15444870 0.70 TRPV4 (1.00) TRPV4
SCHEMBL4655830 0.70 BRAF (0.69) BRAFRAF1MAPK14
SCHEMBL3974567 0.70 BRAF (0.53) BRAFTRPV4MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 — — US disclosed
WO-2009059272-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 — — 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-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS BRAF, ARAF, RAF1 BRAF 1/4885TRPV4 2674/4885RAF1 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.

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