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SCHEMBL298194

SCHEMBL298194

CCN(CC)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cnc(OC)nc4)cc23)c1F

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 9/20 0.73
▸ CYP2D6 P10635 2/20 0.73
▸ BRAF P15056 4/20 0.70
▸ CYP2C19 P33261 8/20 0.65
▸ CYP3A4 P08684 1/20 0.64
▸ RIPK2 O43353 1/20 0.61
▸ ABCB11 O95342 1/20 0.61
▸ EGFR P00533 1/20 0.61
▸ KRAS P01116 1/20 0.61
▸ RAF1 P04049 1/20 0.61
▸ PGR P06401 1/20 0.61
▸ RET P07949 1/20 0.61
▸ CHRM2 P08172 1/20 0.61
▸ ADORA3 P0DMS8 1/20 0.61
▸ ARAF P10398 1/20 0.61
▸ CHRM1 P11229 1/20 0.61
▸ CHRM3 P20309 1/20 0.61
▸ FECH P22830 1/20 0.61
▸ KDR P35968 1/20 0.61
▸ MAP2K2 P36507 1/20 0.61

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
SCHEMBL15667704 0.94 BRAF (0.79) CYP2C9CYP2D6BRAFCYP2C19CYP3A4
SCHEMBL299005 0.91 CYP2C9 (0.77) CYP2C9CYP2D6BRAFCYP2C19CYP3A4
SCHEMBL15667336 0.91 CYP2C9 (0.71) CYP2C9CYP2D6BRAFCYP2C19CYP3A4
SCHEMBL7874949 0.90 CYP2C9 (0.78) CYP2C9CYP2D6BRAFCYP2C19CYP3A4
SCHEMBL15677271 0.90 CYP2C9 (0.72) CYP2C9CYP2D6BRAFCYP2C19CYP3A4
SCHEMBL29652465 0.90 CYP2C9 (0.72) CYP2C9CYP2D6BRAFCYP2C19CYP3A4
SCHEMBL7874193 0.89 CYP2C9 (0.69) CYP2C9CYP2D6BRAFCYP2C19CYP3A4
SCHEMBL15667091 0.89 CYP2C9 (0.71) CYP2C9CYP2D6BRAFCYP2C19CYP3A4
SCHEMBL29652334 0.89 CYP2C9 (0.71) CYP2C9CYP2D6BRAFCYP2C19CYP3A4
SCHEMBL298440 0.88 BRAF (0.65) CYP2C9CYP2D6BRAFCYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2672967-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-10-17 — — EP disclosed
US-9624213-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-18 — — US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 — — US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 — — US 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

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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF CYP2C9 2176/4885CYP2D6 3025/4885BRAF 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.