SCHEMBL1496229

SCHEMBL1496229

O=C(Nc1cnc2[nH]nc(C(F)(F)F)c2c1)c1c(Cl)ccc(OCc2ccccc2)c1F

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.46
LRRK2 Q5S007 6/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41

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
SCHEMBL9933164 0.88 BRAF (0.51) BRAFLRRK2
SCHEMBL1496220 0.86 BRAF (0.50) BRAFLRRK2EGFRERBB2
SCHEMBL1496222 0.86 BRAF (0.62) BRAF
SCHEMBL1496174 0.86 BRAF (0.48) BRAFLRRK2EGFRERBB2
SCHEMBL1496248 0.86 BRAF (0.51) BRAFLRRK2EGFRERBB2
SCHEMBL1496218 0.86 BRAF (0.48) BRAFLRRK2EGFRERBB2
SCHEMBL1496268 0.86 BRAF (0.48) BRAFLRRK2EGFRERBB2
SCHEMBL1495246 0.86 BRAF (0.48) BRAFLRRK2EGFRERBB2
SCHEMBL9933287 0.86 BRAF (0.55) BRAF
SCHEMBL1496169 0.85 BRAF (0.51) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470532-A1 1H-PYRAZOLO [ 3, 4-B]PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
US-20120157452-A1 1H-PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE GENENTECH, INC. (US) 2012-06-21 US disclosed
US-20120157452-A1 1H-PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE GENENTECH, INC. (US) 2012-06-21 US disclosed
WO-2011025968-A1 1H-PYRAZOLO [ 3, 4-B] PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE ARRAY BIOPHARMA INC. (US) 2011-03-03 WO disclosed
WO-2011025968-A1 1H-PYRAZOLO [ 3, 4-B] PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE ARRAY BIOPHARMA INC. (US) 2011-03-03 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-20120157452-A1 1H-PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE BRAF, RAF1, ARAF BRAF 1/4885LRRK2 615/4885MRGPRX4 2311/4885

“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.