Sugi Predict

Sugi Predict / Compounds / SCHEMBL27722

SCHEMBL27722

SCHEMBL27722

Nc1cc(C(F)(F)F)ncn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 1.00
▸ CHKA P35790 1/20 1.00
▸ NOS3 P29474 1/20 0.43
▸ NOS2 P35228 1/20 0.43
▸ LOXL2 Q9Y4K0 2/20 0.39
▸ LOX P28300 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ ASIC3 Q9UHC3 1/20 0.38
▸ MAP4K4 O95819 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ EGFR P00533 2/20 0.34
▸ KMO O15229 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 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
SCHEMBL29638932 1.00 CA2 (1.00) CA2CHKANOS3NOS2LOXL2
SCHEMBL9367829 0.98 CA2 (0.95) CA2CHKANOS3NOS2LOXL2
SCHEMBL17740837 0.82 CA2 (0.69) CA2CHKANOS3NOS2ASIC3
SCHEMBL27264896 0.82 CA2 (0.68) CA2CHKANOS3NOS2LOXL2
SCHEMBL23025010 0.77 CA2 (0.62) CA2CHKANOS3NOS2ASIC3
SCHEMBL1269725 0.76 CA2 (0.61) CA2CHKANOS3NOS2HSP90AA1
SCHEMBL125453 0.73 — —
SCHEMBL17663 0.71 CA2 (0.56) CA2CHKALOXL2LOXMAP4K4
SCHEMBL10197318 0.71 CA2 (0.56) CA2CHKALOXL2LOXHSP90AA1
SCHEMBL2630831 0.71 CA2 (0.56) CA2CHKALOXL2LOXMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026101698-A1 HEPCIDIN MIMETIC COMPOUNDS AND USES THEREOF PROTAGONIST THERAPEUTICS, INC. (US) 2026-05-15 — — WO disclosed
EP-4558489-A1 HETEROARYL DERIVATIVES AS DDRs INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2025-05-28 — — EP disclosed
US-20250143305-A1 PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2025-05-08 — — US disclosed
EP-4313972-B1 INDOLINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARM SPA (IT) 2025-01-29 — — EP disclosed
US-20240217967-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-07-04 — — US disclosed
EP-4313972-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-02-07 — — EP disclosed
WO-2024017876-A1 HETEROARYL DERIVATIVES AS DDRs INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-01-25 — — WO disclosed
EP-3684768-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2024-01-24 — — EP disclosed
EP-3978077-B1 CONDENSED HETEROCYCLIC COMPOUND HAVING A BRIDGEHEAD NITROGEN ATOM OR SALT THEREOF, AGRICULTURAL OR HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE NIHON NOHYAKU CO LTD (JP) 2023-11-29 — — EP disclosed
US-11780827-B2 Substituted 3-phenoxyazetidin-1-yl-pyrazines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-10 — — US disclosed
WO-2007075650-A2 SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER HEALTHCARE AG (DE) 2007-07-05 — — WO disclosed
US-6914065-B2 Imidazo[1,2-C]pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. 2005-07-05 — — US disclosed
US-20040138236-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-07-15 — — US disclosed
WO-2002038569-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-16 — — WO disclosed
CN-1341594-A Substituted pyrrolidone, thiazolidone or oxazolidone as herbicide ZENECA LTD (GB) 2002-03-27 — — CN disclosed
CN-1190954-A Process for the preparation of (thio-) carbonic/carbamic acid 2-pyrrolidonyl-3-esters, thio esters and amides ZENECA LTD (GB) 1998-08-19 — — CN disclosed
US-5670656-A Process for preparing pyrrolidinones ZENECA LIMITED (GB) 1997-09-23 — — US disclosed
CN-1153512-A Substituted pyrrolidones, thiazolidinones or oxazolidinones as herbicides ZENECA LTD (GB) 1997-07-02 — — CN disclosed
EP-0763020-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 — — EP disclosed
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 — — 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-20040138236-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA2, GABRA1 CA2 2520/4885CHKA 2788/4885NOS3 3389/4885
US-20250143305-A1 PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT HDAC11, AADAC, CTRL CA2 550/4885CHKA 2843/4885NOS3 1280/4885
US-20240217967-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS DDR1, DDR2, DDRGK1 CA2 4725/4885CHKA 1795/4885NOS3 3202/4885
US-11780827-B2 Substituted 3-phenoxyazetidin-1-yl-pyrazines GPR52, GPR88, GPR65 CA2 2170/4885CHKA 2133/4885NOS3 4127/4885

“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.