SCHEMBL294562

SCHEMBL294562

N#Cc1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)c4cccnc4)c3F)c2c1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.84
CYP3A4 P08684 6/20 0.79
BRAF P15056 7/20 0.46
CYP2C19 P33261 1/20 0.43

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
SCHEMBL292670 0.91 CYP2C9 (1.00) CYP2C9CYP3A4BRAFCYP2C19
SCHEMBL291570 0.90 CYP2C9 (1.00) CYP2C9CYP3A4BRAFCYP2C19
SCHEMBL299594 0.89 CYP2C9 (0.88) CYP2C9CYP3A4BRAFCYP2C19
SCHEMBL292446 0.88 CYP3A4 (1.00) CYP2C9CYP3A4BRAFCYP2C19
SCHEMBL297684 0.87 CYP2C9 (0.68) CYP2C9CYP3A4BRAFCYP2C19
SCHEMBL295492 0.86 CYP2C9 (0.84) CYP2C9CYP3A4BRAFCYP2C19
SCHEMBL288197 0.86 CYP2C9 (0.61) CYP2C9CYP3A4BRAF
SCHEMBL299314 0.86 CYP2C9 (0.82) CYP2C9CYP3A4CYP2C19
SCHEMBL297405 0.85 CYP2C9 (0.79) CYP2C9CYP3A4BRAFCYP2C19
SCHEMBL299237 0.85 CYP2C9 (0.76) CYP2C9CYP3A4BRAFCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 US disclosed
US-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
EP-2427462-A1 PYRROLO [2, 3. B]PYRIDINES WHICH INHIBIT RAF PROTEIN KINASE Plexxikon, Inc. (US) 2012-03-14 EP disclosed
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 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 (3 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF CYP2C9 2176/4885CYP3A4 3611/4885BRAF 1/4885
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 CYP2C9 2237/4885CYP3A4 2892/4885BRAF 1/4885
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, RAF1 CYP2C9 2237/4885CYP3A4 2892/4885BRAF 1/4885

“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.