SCHEMBL288197

SCHEMBL288197

O=C(c1cccc(NS(=O)(=O)c2cccnc2)c1F)c1c[nH]c2ncncc12

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.61
CYP3A4 P08684 7/20 0.58
SLC40A1 Q9NP59 3/20 0.44
GLO1 Q04760 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BRAF P15056 2/20 0.42
CKS1B P61024 1/20 0.40
SKP2 Q13309 1/20 0.40

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
SCHEMBL287904 0.89 CYP2C9 (0.75) CYP2C9CYP3A4
SCHEMBL288245 0.89 CYP2C9 (0.63) CYP2C9CYP3A4KDM4EALDH1A1LMNA
SCHEMBL1086338 0.87 CYP3A4 (0.76) CYP2C9CYP3A4BRAF
SCHEMBL294562 0.86 CYP2C9 (0.84) CYP2C9CYP3A4BRAF
SCHEMBL287963 0.85 CYP2C9 (0.60) CYP2C9CYP3A4SLC40A1BRAF
SCHEMBL287506 0.85 CYP2C9 (0.59) CYP2C9CYP3A4
SCHEMBL4570662 0.84 CYP2C9 (0.61) CYP2C9CYP3A4SLC40A1GLO1BRAF
SCHEMBL288360 0.84 CYP2C9 (0.73) CYP2C9CYP3A4
SCHEMBL1093377 0.82 CYP2C9 (0.58) CYP2C9CYP3A4BRAF
SCHEMBL287495 0.82 CYP2C9 (0.54) CYP2C9CYP3A4BRAF

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 8 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-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 (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-20090286783-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, PRKACA, RAF1 CYP2C9 2304/4885CYP3A4 3358/4885SLC40A1 1352/4885

“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.