SCHEMBL574884

SCHEMBL574884

CCn1cc(-c2ccnc3[nH]ccc23)c(-c2cccc(N(COC)S(=O)(=O)c3cc(F)ccc3F)c2F)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
AURKB Q96GD4 4/20 0.43
AURKA O14965 3/20 0.43
INCENP Q9NQS7 2/20 0.43
LYN P07948 1/20 0.43
IGF1R P08069 1/20 0.43
MET P08581 1/20 0.43
ROCK1 Q13464 1/20 0.43
MAPK14 Q16539 3/20 0.39
CSNK1D P48730 2/20 0.39
MAPK11 Q15759 1/20 0.39
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 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
SCHEMBL574846 0.82 BRAF (0.33) BRAFMAPK14CSNK1DMAPK11
SCHEMBL28043303 0.82 BRAF (0.35) BRAFCYP2D6CYP2C9AURKBAURKA
SCHEMBL15192240 0.82 BRAF (0.51) BRAFCYP2D6CYP2C9AURKBAURKA
SCHEMBL574579 0.82 CCNT1 (0.39) BRAFCYP2D6CYP2C9
SCHEMBL574938 0.81 NPC1 (0.36)
SCHEMBL574377 0.81 MAPK8 (0.35) BRAFCYP2D6CYP2C9
SCHEMBL15191753 0.79 HTR6 (0.31) BRAF
SCHEMBL574928 0.79 PTGS2 (0.32)
SCHEMBL15192205 0.77 BRAF (0.43) BRAFLYNMET
SCHEMBL574946 0.77 MAPK8 (0.34) BRAFCYP2D6

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 8/4885CYP2D6 3395/4885CYP2C9 4195/4885

“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.