SCHEMBL288250

SCHEMBL288250

O=C(c1cccc(NS(=O)(=O)N2CCCC2)c1F)c1c[nH]c2ncncc12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.50
CYP3A4 P08684 3/20 0.47
BRAF P15056 3/20 0.46
ERN1 O75460 1/20 0.46
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
PIK3CA P42336 1/20 0.39
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39

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
SCHEMBL288134 0.92 PIK3CA (0.49) CYP2C9CYP3A4BRAFERN1PIK3CA
SCHEMBL29652320 0.87 CYP2C9 (0.47) CYP2C9CYP3A4BRAFERN1KDM4E
SCHEMBL287878 0.86 BRAF (0.59) CYP2C9CYP3A4BRAF
SCHEMBL15666905 0.85 CYP3A4 (0.53) CYP2C9CYP3A4BRAFKDM4EMEN1
SCHEMBL299504 0.85 CYP2C9 (0.53) CYP2C9CYP3A4BRAFERN1KDM4E
SCHEMBL298723 0.85 CYP2C9 (0.71) CYP2C9CYP3A4BRAFERN1KDM4E
SCHEMBL15667283 0.84 CYP2C9 (0.55) CYP2C9CYP3A4BRAFPIK3CA
SCHEMBL12471740 0.84 CYP2C9 (0.56) CYP2C9CYP3A4BRAFPIK3CA
SCHEMBL288017 0.83 CYP2C9 (0.50) CYP2C9CYP3A4BRAFALOX5APFEN1
SCHEMBL287741 0.83 CYP2C9 (0.50) CYP2C9CYP3A4BRAFALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153641-B2 Pyrrolo(2,3-d)pyrimidine kinase inhibitors; melanoma, colorectal cancer, pain, polycystic kidney disease and other Raf protein kinase related conditions; e.g. Propane-1-sulfonic acid[3-(4-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluoro-phenyl]-amide; Raf kinases including B-raf, A-raf PLEXXIKON INC. (US) 2012-04-10 US claimed
US-10421761-B2 Compounds for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-09-24 US disclosed
US-10421761-B2 Compounds for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-09-24 US disclosed
US-20180099975-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
US-20180099975-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
US-9873700-B2 Compounds for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-01-23 US disclosed
US-9873700-B2 Compounds for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-01-23 US disclosed
US-20140357612-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-12-04 US disclosed
US-20140357612-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-12-04 US disclosed
US-20140357612-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-12-04 US disclosed
US-8153641-B2 Pyrrolo(2,3-d)pyrimidine kinase inhibitors; melanoma, colorectal cancer, pain, polycystic kidney disease and other Raf protein kinase related conditions; e.g. Propane-1-sulfonic acid[3-(4-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluoro-phenyl]-amide; Raf kinases including B-raf, A-raf PLEXXIKON INC. (US) 2012-04-10 US disclosed
US-8153641-B2 Pyrrolo(2,3-d)pyrimidine kinase inhibitors; melanoma, colorectal cancer, pain, polycystic kidney disease and other Raf protein kinase related conditions; e.g. Propane-1-sulfonic acid[3-(4-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluoro-phenyl]-amide; Raf kinases including B-raf, A-raf PLEXXIKON INC. (US) 2012-04-10 US disclosed
US-8153641-B2 Pyrrolo(2,3-d)pyrimidine kinase inhibitors; melanoma, colorectal cancer, pain, polycystic kidney disease and other Raf protein kinase related conditions; e.g. Propane-1-sulfonic acid[3-(4-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluoro-phenyl]-amide; Raf kinases including B-raf, A-raf PLEXXIKON INC. (US) 2012-04-10 US disclosed
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP disclosed
US-20090286783-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286783-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286783-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 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-20090286783-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, PRKACA, RAF1 CYP2C9 2304/4885CYP3A4 3358/4885BRAF 1/4885
US-20140357612-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2C9 4724/4885CYP3A4 4658/4885BRAF 46/4885
US-10421761-B2 Compounds for kinase modulation, and indications therefor MAP3K20, MAP3K13, MAP3K8 CYP2C9 4724/4885CYP3A4 4658/4885BRAF 46/4885
US-20180099975-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2C9 4724/4885CYP3A4 4658/4885BRAF 46/4885

“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.