SCHEMBL996215

SCHEMBL996215

CNCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccccc4)cc23)c1F

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.70
RIPK2 O43353 1/20 0.70
ABCB11 O95342 1/20 0.70
EGFR P00533 1/20 0.70
KRAS P01116 1/20 0.70
RAF1 P04049 1/20 0.70
PGR P06401 1/20 0.70
RET P07949 1/20 0.70
CHRM2 P08172 1/20 0.70
ADORA3 P0DMS8 1/20 0.70
ARAF P10398 1/20 0.70
CHRM1 P11229 1/20 0.70
CHRM3 P20309 1/20 0.70
FECH P22830 1/20 0.70
KDR P35968 1/20 0.70
MAP2K2 P36507 1/20 0.70
TGFBR2 P37173 1/20 0.70
NEK2 P51955 1/20 0.70
MAP2K1 Q02750 1/20 0.70
TNK2 Q07912 1/20 0.70

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
SCHEMBL414596 0.92 BRAF (0.81) BRAFRIPK2ABCB11EGFRKRAS
SCHEMBL415508 0.92 CYP2C9 (0.68) BRAFRIPK2ABCB11EGFRKRAS
SCHEMBL299099 0.90 BRAF (0.86) BRAFRIPK2ABCB11EGFRKRAS
SCHEMBL29652406 0.89 BRAF (0.69) BRAFRIPK2ABCB11EGFRKRAS
SCHEMBL10261639 0.89 CYP2C19 (0.66) BRAFRIPK2ABCB11EGFRKRAS
SCHEMBL299022 0.88 CYP2C19 (0.72) BRAFRIPK2ABCB11EGFRKRAS
SCHEMBL298900 0.88 BRAF (0.80) BRAFRIPK2ABCB11EGFRKRAS
SCHEMBL411666 0.87 BRAF (0.65) BRAFRIPK2ABCB11EGFRKRAS
SCHEMBL300398 0.86 BRAF (0.74) BRAFRIPK2ABCB11EGFRKRAS
SCHEMBL7873645 0.85 BRAF (0.78) BRAFRIPK2ABCB11EGFRKRAS

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-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-03-10 US claimed
US-7863288-B2 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON, INC. (US) 2011-01-04 US claimed

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-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 BRAF 48/4885RIPK2 514/4885ABCB11 4531/4885

“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.