SCHEMBL574904

SCHEMBL574904

COCN(c1cccc(-c2nn(C3CCN(C(C)=O)CC3)cc2-c2ccnc(NC(C)(C)C)c2)c1F)S(=O)(=O)c1cc(F)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.38
EGFR P00533 4/20 0.35
RORC P51449 3/20 0.34
NR1I2 O75469 1/20 0.33
MAPK8 P45983 2/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
CDK9 P50750 5/20 0.31
CDK1 P06493 3/20 0.31
CDK2 P24941 3/20 0.31
CDK3 Q00526 3/20 0.31
CDK5 Q00535 3/20 0.31
CCNT1 O60563 3/20 0.31
GSK3A P49840 2/20 0.31
GSK3B P49841 2/20 0.31
CCNB1 P14635 2/20 0.31
CCNE1 P24864 2/20 0.31

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
SCHEMBL574445 0.93 BRAF (0.36) BRAFEGFRALOX5APFEN1CDK9
SCHEMBL575031 0.93 BRAF (0.36) BRAFEGFRNR1I2MAPK8MAPK9
SCHEMBL28043516 0.92 BRAF (0.36) BRAFEGFRNR1I2MAPK8MAPK9
SCHEMBL15191461 0.91 BRAF (0.35) BRAFEGFRNR1I2MAPK8MAPK9
SCHEMBL15191846 0.91 BRAF (0.35) BRAFEGFRNR1I2MAPK8MAPK9
SCHEMBL15192202 0.90 EGFR (0.42) BRAFEGFRRORCMAPK14
SCHEMBL15192242 0.86 EGFR (0.36) BRAFEGFRALOX5APFEN1CDK9
SCHEMBL15191754 0.85 BRAF (0.38) BRAFMAPK8MAPK9MAPK10
SCHEMBL574377 0.84 MAPK8 (0.35) BRAFMAPK8MAPK9MAPK10PIK3C3
SCHEMBL15191744 0.84 EGFR (0.41) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601185-B1 DERIVATIVES OF PYRAZOLOPHENYL-BENZENESULFONAMIDE COMPOUNDS AND USE THEREOF AS ANTITUMOR AGENTS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-10-07 EP disclosed
EP-2601185-B1 DERIVATIVES OF PYRAZOLOPHENYL-BENZENESULFONAMIDE COMPOUNDS AND USE THEREOF AS ANTITUMOR AGENTS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-10-07 EP disclosed
US-9114137-B2 Derivatives of pyrazolophenyl-benzenesulfonamide compounds and use thereof as antitumor agents NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-08-25 US disclosed
US-9114137-B2 Derivatives of pyrazolophenyl-benzenesulfonamide compounds and use thereof as antitumor agents NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-08-25 US disclosed
US-9114137-B2 Derivatives of pyrazolophenyl-benzenesulfonamide compounds and use thereof as antitumor agents NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-08-25 US disclosed
US-20130217715-A1 DERIVATIVES OF PYRAZOLOPHENYL-BENZENESULFONAMIDE COMPOUNDS AND USE THEREOF AS ANTITUMOR AGENTS LSI FINANCING 1 DESIGNATED ACTIVITY COMPANY (IE) 2013-08-22 US disclosed
US-20130217715-A1 DERIVATIVES OF PYRAZOLOPHENYL-BENZENESULFONAMIDE COMPOUNDS AND USE THEREOF AS ANTITUMOR AGENTS LSI FINANCING 1 DESIGNATED ACTIVITY COMPANY (IE) 2013-08-22 US disclosed
US-20130217715-A1 DERIVATIVES OF PYRAZOLOPHENYL-BENZENESULFONAMIDE COMPOUNDS AND USE THEREOF AS ANTITUMOR AGENTS LSI FINANCING 1 DESIGNATED ACTIVITY COMPANY (IE) 2013-08-22 US disclosed
EP-2601185-A1 DERIVATIVES OF PYRAZOLOPHENYL-BENZENESULFONAMIDE COMPOUNDS AND USE THEREOF AS ANTITUMOR AGENTS Nerviano Medical Sciences S.r.l. (IT) 2013-06-12 EP disclosed
WO-2012016993-A1 DERIVATIVES OF PYRAZOLOPHENYL-BENZENESULFONAMIDE COMPOUNDS AND USE THEREOF AS ANTITUMOR AGENTS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-09 WO 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-20130217715-A1 DERIVATIVES OF PYRAZOLOPHENYL-BENZENESULFONAMIDE COMPOUNDS AND USE THEREOF AS ANTITUMOR AGENTS CDK2, CDK1, CDK4 BRAF 8/4885EGFR 801/4885RORC 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.