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SCHEMBL2018655

SCHEMBL2018655

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cnc(NC(C)C)nc4)cc23)c1F

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 10/20 0.81
▸ CYP2C9 P11712 10/20 0.79
▸ CYP3A4 P08684 3/20 0.79
▸ BRAF P15056 3/20 0.77
▸ RIPK2 O43353 2/20 0.77
▸ RAF1 P04049 2/20 0.77
▸ KDR P35968 2/20 0.77
▸ MAP2K2 P36507 2/20 0.77
▸ TGFBR2 P37173 2/20 0.77
▸ NEK2 P51955 2/20 0.77
▸ MAP2K1 Q02750 2/20 0.77
▸ TNK2 Q07912 2/20 0.77
▸ MAP2K5 Q13163 2/20 0.77
▸ PTK6 Q13882 2/20 0.77
▸ NEK11 Q8NG66 2/20 0.77
▸ MAP3K20 Q9NYL2 2/20 0.77
▸ MAP4K5 Q9Y4K4 2/20 0.77
▸ ABCB11 O95342 1/20 0.77
▸ EGFR P00533 1/20 0.77
▸ KRAS P01116 1/20 0.77

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
SCHEMBL2014333 0.91 CYP2C19 (0.84) CYP2C19CYP2C9CYP3A4BRAFRIPK2
SCHEMBL2163098 0.90 CYP2C19 (0.83) CYP2C19CYP2C9CYP3A4BRAFRIPK2
SCHEMBL293377 0.89 CYP2C19 (1.00) CYP2C19CYP2C9CYP3A4BRAFRIPK2
SCHEMBL294126 0.89 CYP2C9 (1.00) CYP2C19CYP2C9CYP3A4BRAFRIPK2
SCHEMBL29898572 0.89 CYP2C9 (1.00) CYP2C19CYP2C9CYP3A4BRAFRIPK2
SCHEMBL2163152 0.88 CYP2C19 (0.79) CYP2C19CYP2C9CYP3A4BRAFRIPK2
SCHEMBL20408736 0.88 BRAF (0.86) CYP2C19CYP2C9CYP3A4BRAFRIPK2
SCHEMBL298927 0.88 BRAF (0.89) CYP2C19CYP2C9CYP3A4BRAFRIPK2
SCHEMBL20400626 0.88 CYP2C9 (0.86) CYP2C19CYP2C9CYP3A4BRAFRIPK2
SCHEMBL299099 0.88 BRAF (0.86) CYP2C19CYP2C9CYP3A4BRAFRIPK2

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-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 — — US claimed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 — — WO claimed
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 — — US disclosed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 — — US disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 — — US disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 — — US disclosed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 — — 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 (2 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-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS CYP2C19 2453/4885CYP2C9 2483/4885CYP3A4 2226/4885
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS CYP2C19 2453/4885CYP2C9 2483/4885CYP3A4 2226/4885

“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.