SCHEMBL12891936

SCHEMBL12891936

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(-c5ccc(Cl)cc5)cc4)cc23)c1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 1.00
RIPK2 O43353 2/20 1.00
RAF1 P04049 2/20 1.00
KDR P35968 2/20 1.00
MAP2K2 P36507 2/20 1.00
TGFBR2 P37173 2/20 1.00
NEK2 P51955 2/20 1.00
MAP2K1 Q02750 2/20 1.00
TNK2 Q07912 2/20 1.00
MAP2K5 Q13163 2/20 1.00
PTK6 Q13882 2/20 1.00
NEK11 Q8NG66 2/20 1.00
MAP3K20 Q9NYL2 2/20 1.00
MAP4K5 Q9Y4K4 2/20 1.00
ABCB11 O95342 1/20 1.00
EGFR P00533 1/20 1.00
KRAS P01116 1/20 1.00
PGR P06401 1/20 1.00
RET P07949 1/20 1.00
CHRM2 P08172 1/20 1.00

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
Vemurafenib SCHEMBL298931 1.00 BRAF (1.00) BRAFRIPK2RAF1KDRMAP2K2
Vemurafenib SCHEMBL29356185 1.00 BRAF (1.00) BRAFRIPK2RAF1KDRMAP2K2
Vemurafenib SCHEMBL29355460 1.00 BRAF (1.00) BRAFRIPK2RAF1KDRMAP2K2
Vemurafenib SCHEMBL17784481 0.95 BRAF (0.91) BRAFRIPK2RAF1KDRMAP2K2
SCHEMBL298368 0.95 BRAF (0.91) BRAFRIPK2RAF1KDRMAP2K2
SCHEMBL19575141 0.94 BRAF (0.89) BRAFRIPK2RAF1KDRMAP2K2
SCHEMBL298927 0.94 BRAF (0.89) BRAFRIPK2RAF1KDRMAP2K2
SCHEMBL7876722 0.94 BRAF (0.89) BRAFRIPK2RAF1KDRMAP2K2
SCHEMBL20408711 0.94 BRAF (0.88) BRAFRIPK2RAF1KDRMAP2K2
SCHEMBL293053 0.93 CYP2C19 (1.00) BRAFRIPK2RAF1KDRMAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414764-B2 Substantially pure vemurafenib and its salts SHILPA MEDICARE LIMITED 2019-09-17 US disclosed
US-20170320872-A1 SUBSTANTIALLY PURE VEMURAFENIB AND ITS SALTS SHILPA MEDICARE LIMITED (IN) 2017-11-09 US disclosed
US-20170320872-A1 SUBSTANTIALLY PURE VEMURAFENIB AND ITS SALTS SHILPA MEDICARE LIMITED (IN) 2017-11-09 US disclosed
WO-2015075749-A1 NOVEL PROCESSES FOR THE PREPARATION OF VEMURAFENIB LAURUS LABS PRIVATE LIMITED (IN) 2015-05-28 WO disclosed
US-8741920-B2 Process for the manufacture of pharmaceutically active compounds HOFFMANN-LA ROCHE, INC. (US) 2014-06-03 US disclosed
US-8741920-B2 Process for the manufacture of pharmaceutically active compounds HOFFMANN-LA ROCHE, INC. (US) 2014-06-03 US disclosed
US-8530661-B2 Process for the manufacture of pharmaceutically active compounds HOFFMANN-LA ROCHE, INC. (US) 2013-09-10 US disclosed
US-20130005761-A1 PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS HOFFMANN-LA ROCHE INC. 2013-01-03 US disclosed
US-20130005978-A1 PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS HILDBRAND STEFAN (CH) 2013-01-03 US disclosed
US-8329724-B2 Process for the manufacture of pharmaceutically active compounds HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
WO-2011015522-A2 PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-10 WO disclosed
US-20110028511-A1 PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 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 (5 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-20110028511-A1 PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS CYP2F1, CYP1B1, CYP7A1 BRAF 2744/4885RIPK2 4164/4885RAF1 1134/4885
US-20130005978-A1 PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS CYP4B1, PCSK9, CYP1B1 BRAF 2242/4885RIPK2 4515/4885RAF1 1555/4885
US-20130005761-A1 PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS CYP1B1, CYP4B1, CYP2C19 BRAF 3167/4885RIPK2 4586/4885RAF1 1957/4885
US-20170320872-A1 SUBSTANTIALLY PURE VEMURAFENIB AND ITS SALTS BRAF, RAF1, NRAS BRAF 1/4885RIPK2 3219/4885RAF1 2/4885
US-10414764-B2 Substantially pure vemurafenib and its salts BRAF, RAF1, NRAS BRAF 1/4885RIPK2 3219/4885RAF1 2/4885

“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.