SCHEMBL574825

SCHEMBL574825

N#CCn1cc(-c2ccncc2)c(-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.45
NR1I2 O75469 5/20 0.40
CYP3A4 P08684 1/20 0.39
ERN1 O75460 1/20 0.37
PIK3CA P42336 6/20 0.37
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
MTOR P42345 4/20 0.36

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
SCHEMBL574872 0.89 BRAF (0.47) BRAFNR1I2ERN1PIK3CAPIK3CD
SCHEMBL574488 0.88 BRAF (0.48) BRAFNR1I2ERN1PIK3CAPIK3CD
SCHEMBL15191850 0.88 BRAF (0.46) BRAFNR1I2ERN1PIK3CAPIK3CD
SCHEMBL15191977 0.85 BRAF (0.47) BRAFNR1I2CYP3A4ERN1PIK3CA
SCHEMBL574829 0.85 BRAF (0.44) BRAFNR1I2ERN1PIK3CAMTOR
SCHEMBL574918 0.84 BRAF (0.46) BRAFNR1I2CYP3A4ERN1PIK3CA
SCHEMBL15191889 0.83 BRAF (0.45) BRAFNR1I2CYP3A4ERN1PIK3CA
SCHEMBL15192467 0.83 BRAF (0.45) BRAFNR1I2PIK3CA
SCHEMBL15191845 0.83 BRAF (0.43) BRAFNR1I2ERN1PIK3CAMTOR
SCHEMBL574939 0.83 BRAF (0.43) BRAFNR1I2ERN1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
CN-103153980-B Derivatives of pyrazolophenylbenzenesulfonamide compounds and their use as antitumor agents NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-12-16 CN 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
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
CN-103153980-A Derivatives of pyrazolophenylbenzenesulfonamide compounds and their use as antitumor agents NERVIANO MEDICAL SCIENCES SRL 2013-06-12 CN 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 8/4885NR1I2 2530/4885CYP3A4 3639/4885

“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.