SCHEMBL288264

SCHEMBL288264

CCCS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncnc(OC)c23)c1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 10/20 0.60
CYP3A4 P08684 7/20 0.56
CYP2C19 P33261 5/20 0.56
BRAF P15056 4/20 0.52
BMPR1B O00238 1/20 0.45
PLK4 O00444 1/20 0.45
PIR O00625 1/20 0.45
AURKA O14965 1/20 0.45
DCLK1 O15075 1/20 0.45
EPHB6 O15197 1/20 0.45
RIPK2 O43353 1/20 0.45
STK16 O75716 1/20 0.45
OXSR1 O95747 1/20 0.45
MAP4K4 O95819 1/20 0.45
ABL1 P00519 1/20 0.45
RAF1 P04049 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
FES P07332 1/20 0.45
CSF1R P07333 1/20 0.45

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
SCHEMBL12655324 0.88 CYP2C9 (0.58) CYP2C9CYP3A4CYP2C19BRAFBMPR1B
SCHEMBL288573 0.86 CYP2C9 (0.79) CYP2C9CYP3A4CYP2C19BRAFBMPR1B
SCHEMBL16266435 0.86 CYP2C9 (0.55) CYP2C9CYP3A4CYP2C19BRAF
SCHEMBL1818823 0.84 CYP2C9 (0.57) CYP2C9CYP3A4CYP2C19BRAFBMPR1B
SCHEMBL12561118 0.83 CYP3A4 (0.56) CYP2C9CYP3A4CYP2C19BRAFBMPR1B
SCHEMBL1094221 0.83 CYP2C9 (0.66) CYP2C9CYP3A4CYP2C19
SCHEMBL1093341 0.82 CYP2C9 (0.68) CYP2C9CYP3A4CYP2C19
SCHEMBL16266518 0.82 CYP2C9 (0.52) CYP2C9CYP3A4CYP2C19BRAF
SCHEMBL287955 0.81 CYP2C9 (0.66) CYP2C9CYP3A4CYP2C19
SCHEMBL287952 0.80 CYP2C9 (0.67) CYP2C9CYP3A4CYP2C19BRAFBMPR1B

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 3358/4885CYP2C19 2661/4885

“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.