Sugi Predict

Sugi Predict / Compounds / SCHEMBL524006

SCHEMBL524006

SCHEMBL524006

N=C(N)c1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.60
▸ F10 P00742 1/20 0.53
▸ PRSS1 P07477 3/20 0.52
▸ PRSS2 P07478 3/20 0.52
▸ PRSS3 P35030 3/20 0.52
▸ C1S P09871 1/20 0.52
▸ F2 P00734 1/20 0.52
▸ PLG P00747 1/20 0.52
▸ HTR3E A5X5Y0 1/20 0.50
▸ HTR3B O95264 1/20 0.50
▸ HTR3A P46098 1/20 0.50
▸ HTR3D Q70Z44 1/20 0.50
▸ HTR3C Q8WXA8 1/20 0.50
▸ SRD5A2 P31213 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ LOXL2 Q9Y4K0 1/20 0.48
▸ PTGS1 P23219 1/20 0.47

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
Hydrochloric Acid SCHEMBL1085054 0.98 CES2 (0.58) CES2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL23497472 0.96 CES2 (0.56) CES2F10PRSS1PRSS2PRSS3
SCHEMBL17134217 0.83 CES2 (0.64) CES2HTR3EHTR3BHTR3AHTR3D
SCHEMBL15630195 0.82 CES2 (0.62) CES2SRD5A2
SCHEMBL13568446 0.80 MAPT (0.67) PTGS1
SCHEMBL3555007 0.80 CES2 (0.60) CES2SRD5A2TSHRMAPK1
SCHEMBL1691994 0.80 ACHE (0.53) F10PRSS1PRSS2PRSS3C1S
SCHEMBL27621589 0.80 CES2 (0.71) CES2SRD5A2PTGS1
SCHEMBL1198420 0.80 CES2 (0.60) CES2HTR3EHTR3BHTR3AHTR3D
SCHEMBL171684 0.80 CES2 (0.71) CES2SRD5A2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240391930-A1 SPIROCYCLIC BICYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. 2024-11-28 — — US disclosed
US-20240150506-A1 CURING AGENTS FOR FLUOROELASTOMERS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2024-05-09 — — US disclosed
CN-117529520-A Fluoroelastomer compositions containing curative 杜邦特种产品美国有限公司 2024-02-06 — — CN disclosed
EP-4305096-A1 FLUOROELASTOMERS COMPOSITION COMPRISING CURING AGENTS Dupont Specialty Products USA, LLC (US) 2024-01-17 — — EP disclosed
CN-111747900-B Novel electron transmission material 烟台盛华液晶材料有限公司 2023-06-27 — — CN disclosed
WO-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 — — WO disclosed
WO-2022192006-A1 FLUOROELASTOMERS COMPOSITION COMPRISING CURING AGENTS DUPONT POLYMERS, INC. (US) 2022-09-15 — — WO disclosed
CN-114746149-A 1,2, 4-oxadiazole derivatives as liver X receptor agonists 诺华股份有限公司 2022-07-12 — — CN disclosed
CN-111747900-A Novel electronic transmission material 烟台盛华液晶材料有限公司 2020-10-09 — — CN disclosed
US-10112931-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2018-10-30 — — US disclosed
US-7022718-B2 Pyridine and pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-04-04 — — US disclosed
CN-1713907-A N-substituted pyrrolidine derivatives as dipeptidyl peptidase IV inhibitors HOFFMANN LA ROCHE (CH) 2005-12-28 — — CN disclosed
US-20050143405-A1 Pyridine and pyrimidine derivatives BOEHRINGER MARKUS (CH) 2005-06-30 — — US disclosed
CN-1630644-A Novel pyridine and pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2005-06-22 — — CN disclosed
WO-2005049573-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 — — WO disclosed
US-6867205-B2 Pyridine and pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-03-15 — — US disclosed
EP-1476435-A1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-11-17 — — EP disclosed
WO-2003068757-A9 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-10-07 — — WO disclosed
US-20030216382-A1 Pyridine and pyrimidine derivatives HOFFMAN-LA ROCHE INC. 2003-11-20 — — US disclosed
WO-2003068757-A1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-21 — — 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-20030216382-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, G6PC1 CES2 2336/4885F10 1679/4885PRSS1 283/4885
US-20240391930-A1 SPIROCYCLIC BICYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION MAG, SGMS1, PMP22 CES2 1080/4885F10 4655/4885PRSS1 4168/4885
US-20050143405-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, PDXK CES2 2113/4885F10 1256/4885PRSS1 217/4885
US-10112931-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH IDH1, IDH3B, IDH3A CES2 3977/4885F10 4064/4885PRSS1 2859/4885

“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.