Sugi Predict

Sugi Predict / Compounds / SCHEMBL2597417

SCHEMBL2597417

SCHEMBL2597417

COC(=O)c1cc(F)c(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 2/20 0.43
▸ SIRT6 Q8N6T7 1/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ FGFR3 P22607 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ CYP3A4 P08684 5/20 0.41
▸ CYP1A2 P05177 4/20 0.41
▸ ADORA3 P0DMS8 4/20 0.41
▸ CYP2C9 P11712 4/20 0.41
▸ CYP2C19 P33261 4/20 0.41
▸ AR P10275 3/20 0.41
▸ TSHR P16473 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ CES2 O00748 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL22833807 0.94 CFTR (0.43) CFTRSIRT6PDGFRBFGFR1PDGFRA
SCHEMBL2035638 0.89 CFTR (0.43) CFTRSIRT6PDGFRBFGFR1PDGFRA
SCHEMBL29679513 0.85 SIRT6 (0.48) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL1640894 0.85 SIRT6 (0.48) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL5167902 0.83 CFTR (0.41) CFTRSIRT6PDGFRBFGFR1PDGFRA
SCHEMBL2895340 0.83 PDGFRB (0.50) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL24065737 0.83 PDGFRB (0.45) CFTRSIRT6PDGFRBFGFR1PDGFRA
SCHEMBL2239932 0.83 PDGFRB (0.45) CFTRSIRT6PDGFRBFGFR1PDGFRA
SCHEMBL5168799 0.82 DTYMK (0.44) CYP3A4CYP1A2ADORA3CYP2C9CYP2C19
SCHEMBL24525434 0.82 NOTUM (0.50) CFTRSIRT6PDGFRBFGFR1PDGFRA

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115803326-B EGFR inhibitor, preparation method thereof and application thereof in pharmacy 上海和誉生物医药科技有限公司 2024-03-26 — — CN disclosed
US-20230103791-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-04-06 — — US disclosed
CN-115803326-A EGFR inhibitor, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2023-03-14 — — CN disclosed
WO-2022105908-A1 EGFR INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF 上海和誉生物医药科技有限公司 2022-05-27 — — WO disclosed
EP-3990436-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2022-05-04 — — EP disclosed
CN-114040911-A As NAV1.8 inhibitors of 2, 3-dihydroquinazoline compounds 葛兰素史密斯克莱知识产权发展有限公司 2022-02-11 — — CN disclosed
WO-2020261114-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-30 — — WO disclosed
EP-2571865-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES Novartis AG (CH) 2013-03-27 — — EP disclosed
US-20130053381-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES NOVARTIS AG 2013-02-28 — — US disclosed
US-20130053381-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES NOVARTIS AG 2013-02-28 — — US disclosed
WO-2011144666-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2011-11-24 — — WO disclosed
US-20080269250-A1 Pyrrolidine and Piperidine Acetylene Derivatives for Use as Mglur5 Antagonists NOVARTIS AG (CH) 2008-10-30 — — US disclosed
CN-101287726-A Pyrrolidine and piperidine acetylene derivatives for use as MGLUR5 antagonists NOVARTIS AG (CH) 2008-10-15 — — CN disclosed
EP-1856107-A1 PYRROLIDINE AND PIPERIDINE ACETYLENE DERIVATIVES FOR USE AS MGLUR5 ANTAGONISTS Novartis AG (CH) 2007-11-21 — — EP disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 — — US disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 — — US disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 — — US disclosed
EP-1773788-A2 QUINAZOLINE DERIVATIVES NOVARTIS-PHARMA GMBH (AT) 2007-04-18 — — EP disclosed
WO-2006089700-A1 PYRROLIDINE AND PIPERIDINE ACETYLENE DERIVATIVES FOR USE AS MGLUR5 ANTAGONISTS NOVARTIS AG (CH) 2006-08-31 — — WO disclosed
WO-2006010591-A2 QUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2006-02-02 — — 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 (4 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-20080269250-A1 Pyrrolidine and Piperidine Acetylene Derivatives for Use as Mglur5 Antagonists GRM5, GRIK5, GRM1 CFTR 3601/4885SIRT6 1241/4885PDGFRB 1136/4885
US-20070208018-A1 Quinazoline Derivatives CYP3A5, CYP3A7, CYP3A4 CFTR 430/4885SIRT6 749/4885PDGFRB 2395/4885
US-20230103791-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS SCN8A, SCN1A, SCN1B CFTR 402/4885SIRT6 2640/4885PDGFRB 3486/4885
US-20130053381-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES GRIK2, GRIK1, GRIK4 CFTR 876/4885SIRT6 743/4885PDGFRB 1495/4885

“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.