SCHEMBL288134

SCHEMBL288134

O=C(c1cccc(NS(=O)(=O)N2CCOCC2)c1F)c1c[nH]c2ncncc12

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.49
CYP2C9 P11712 6/20 0.48
CYP3A4 P08684 3/20 0.46
BRAF P15056 3/20 0.42
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
ERN1 O75460 1/20 0.39
CYP2C19 P33261 1/20 0.38

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
SCHEMBL288250 0.92 CYP2C9 (0.50) PIK3CACYP2C9CYP3A4BRAFALOX5AP
SCHEMBL288065 0.87 BRAF (0.56) PIK3CACYP2C9CYP3A4BRAFCYP2C19
SCHEMBL298655 0.85 CYP2C9 (0.68) PIK3CACYP2C9CYP3A4BRAFALOX5AP
SCHEMBL10246537 0.84 PIK3CA (0.49) PIK3CACYP2C9CYP3A4BRAFALOX5AP
SCHEMBL1093377 0.80 CYP2C9 (0.58) CYP2C9CYP3A4BRAFCYP2C19
SCHEMBL15667561 0.80 CYP3A4 (0.55) PIK3CACYP2C9CYP3A4BRAFCYP2C19
SCHEMBL287963 0.79 CYP2C9 (0.60) CYP2C9CYP3A4BRAFCYP2C19
SCHEMBL287132 0.79 CYP2C9 (0.52) CYP2C9CYP3A4BRAFCYP2C19
SCHEMBL287495 0.79 CYP2C9 (0.54) CYP2C9CYP3A4BRAFCYP2C19
SCHEMBL288017 0.79 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 9 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
WO-2009143024-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-11-26 WO 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 PIK3CA 68/4885CYP2C9 2304/4885CYP3A4 3358/4885

“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.