SCHEMBL3040980

SCHEMBL3040980

COCCOc1ccc(Nc2ncc3cc(Br)ccc3n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 18/20 0.69
▸ CDK4 P11802 1/20 0.52
▸ CCND1 P24385 1/20 0.52
▸ CCND2 P30279 1/20 0.52
▸ CCND3 P30281 1/20 0.52
▸ FBP1 P09467 1/20 0.47
▸ RAF1 P04049 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
SCHEMBL20564955 0.85 CDK4 (0.57) BRAFCDK4CCND1CCND2CCND3
SCHEMBL29575809 0.83 BRAF (0.65) BRAFCDK4CCND1CCND2CCND3
SCHEMBL3426624 0.81 BRAF (0.60) BRAF
SCHEMBL3039406 0.81 BRAF (0.72) BRAFRAF1
SCHEMBL5490360 0.79 BRAF (0.64) BRAF
SCHEMBL5495483 0.77 BRAF (0.43) BRAFRAF1
SCHEMBL12671175 0.77 BRAF (0.49) BRAFRAF1
SCHEMBL17529301 0.77 BRAF (0.49) BRAF
SCHEMBL5495505 0.76 ADRB2 (0.58) BRAFCDK4CCND1
SCHEMBL12120858 0.76 BRAF (0.53) BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 — — 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-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF BRAF 1/4885CDK4 313/4885CCND1 524/4885

“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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