SCHEMBL295650

SCHEMBL295650

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 12/20 1.00
CYP2C9 P11712 10/20 1.00
CYP3A4 P08684 3/20 0.85
BRAF P15056 2/20 0.85
RIPK2 O43353 1/20 0.85
ABCB11 O95342 1/20 0.85
EGFR P00533 1/20 0.85
KRAS P01116 1/20 0.85
RAF1 P04049 1/20 0.85
PGR P06401 1/20 0.85
RET P07949 1/20 0.85
CHRM2 P08172 1/20 0.85
ADORA3 P0DMS8 1/20 0.85
ARAF P10398 1/20 0.85
CHRM1 P11229 1/20 0.85
CHRM3 P20309 1/20 0.85
FECH P22830 1/20 0.85
KDR P35968 1/20 0.85
MAP2K2 P36507 1/20 0.85
TGFBR2 P37173 1/20 0.85

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
SCHEMBL7874403 0.93 CYP2C19 (0.88) CYP2C19CYP2C9CYP3A4BRAFRIPK2
SCHEMBL29898551 0.93 CYP2C19 (0.86) CYP2C19CYP2C9CYP3A4BRAFRIPK2
SCHEMBL299611 0.93 CYP2C19 (0.86) CYP2C19CYP2C9CYP3A4BRAFRIPK2
SCHEMBL298927 0.93 BRAF (0.89) CYP2C19CYP2C9CYP3A4BRAFRIPK2
SCHEMBL298257 0.92 CYP2C19 (1.00) CYP2C19CYP2C9CYP3A4BRAFRIPK2
SCHEMBL27103816 0.92 CYP2C19 (0.85) CYP2C19CYP2C9CYP3A4BRAFRIPK2
SCHEMBL297245 0.92 CYP2C9 (1.00) CYP2C19CYP2C9CYP3A4BRAFRIPK2
SCHEMBL12891936 0.92 BRAF (1.00) CYP2C19CYP2C9CYP3A4BRAFRIPK2
SCHEMBL855840 0.92 BRAF (0.87) CYP2C19CYP2C9CYP3A4BRAFRIPK2
Vemurafenib SCHEMBL29356185 0.92 BRAF (1.00) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427462-A1 PYRROLO [2, 3. B]PYRIDINES WHICH INHIBIT RAF PROTEIN KINASE Plexxikon, Inc. (US) 2012-03-14 EP claimed
US-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2024-02-27 US disclosed
US-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2024-02-27 US disclosed
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 US disclosed
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-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
WO-2010129567-A1 PYRROLO [2, 3. B] PYRIDINES WHICH INHIBIT RAF PROTEIN KINASE 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
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 (4 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-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death MAPK4, MAPK7, MAPK14 CYP2C19 2763/4885CYP2C9 1742/4885CYP3A4 637/4885
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF CYP2C19 2730/4885CYP2C9 2176/4885CYP3A4 3611/4885
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 CYP2C19 2678/4885CYP2C9 2237/4885CYP3A4 2892/4885
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, RAF1 CYP2C19 2678/4885CYP2C9 2237/4885CYP3A4 2892/4885

“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.