Sugi Predict

Sugi Predict / Compounds / SCHEMBL574445

SCHEMBL574445

SCHEMBL574445

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.36
▸ EGFR P00533 1/20 0.34
▸ CCNT1 O60563 4/20 0.33
▸ CDK9 P50750 3/20 0.33
▸ KAT6A Q92794 2/20 0.33
▸ KAT7 O95251 1/20 0.33
▸ GPR119 Q8TDV5 3/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ PTK2 Q05397 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ TTK P33981 1/20 0.33
▸ KAT8 Q9H7Z6 2/20 0.33
▸ MET P08581 1/20 0.33

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
SCHEMBL574904 0.93 BRAF (0.38) BRAFEGFRCCNT1CDK9ALOX5AP
SCHEMBL15192242 0.93 EGFR (0.36) BRAFEGFRCCNT1CDK9KAT6A
SCHEMBL575031 0.91 BRAF (0.36) BRAFEGFR
SCHEMBL28043516 0.91 BRAF (0.36) BRAFEGFR
SCHEMBL15191744 0.91 EGFR (0.41) EGFRGPR119JAK2JAK3PTK2
SCHEMBL15191846 0.90 BRAF (0.35) BRAFEGFR
SCHEMBL574841 0.90 GPR119 (0.34) EGFRGPR119JAK2JAK3PTK2
SCHEMBL15191461 0.89 BRAF (0.35) BRAFEGFR
SCHEMBL17146525 0.87 CCNT1 (0.34) EGFRCCNT1CDK9GPR119JAK2
SCHEMBL574508 0.87 GPR119 (0.36) EGFRKAT6AKAT7GPR119JAK2

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 5 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
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
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 801/4885CCNT1 97/4885

“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.