Sugi Predict

Sugi Predict / Compounds / SCHEMBL644695

SCHEMBL644695

SCHEMBL644695

COC(=O)c1ncc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALPL P05186 2/20 0.40
▸ OPRK1 P41145 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ AGBL2 Q5U5Z8 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ XDH P47989 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ FUT7 Q11130 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL29738141 1.00 NPSR1 (0.43) NPSR1ALPLOPRK1KDM4EL3MBTL1
SCHEMBL15431711 0.84 ATM (0.47) NPSR1ALPLOPRK1KDM4EL3MBTL1
SCHEMBL2592299 0.84 AGBL2 (0.47) NPSR1OPRK1KDM4EL3MBTL1ALDH1A1
SCHEMBL10328686 0.84 NPSR1 (0.42) NPSR1ALPLKDM4EL3MBTL1ALDH1A1
SCHEMBL14260604 0.84 OPRK1 (0.47) NPSR1OPRK1KDM4EL3MBTL1ALDH1A1
SCHEMBL15543442 0.82 NPSR1 (0.41) NPSR1OPRK1
SCHEMBL16505782 0.82 NPSR1 (0.41) NPSR1OPRK1KDM4EL3MBTL1ALDH1A1
SCHEMBL16632434 0.82 NPSR1 (0.41) NPSR1OPRK1KDM4EL3MBTL1ALDH1A1
SCHEMBL319381 0.82 NPSR1 (0.41) NPSR1OPRK1KDM4EL3MBTL1ALDH1A1
SCHEMBL15991274 0.82 KDM4E (0.42) NPSR1OPRK1KDM4EL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115057811-B Preparation method of 2-bromomethyl-3, 5-difluoropyridine 安庆朗坤药业有限公司 2024-06-14 — — CN claimed
CN-115057811-A Preparation method of 2-bromomethyl-3, 5-difluoropyridine 安庆朗坤药业有限公司 2022-09-16 — — CN claimed
EP-4612151-A1 PREPARATION OF IMIDAZOPYRIDINE AND IMIDAZOPYRIDAZINE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS Merck Sharp & Dohme LLC (US) 2025-09-10 — — EP disclosed
US-20250066360-A1 PYRIDINE-CONTAINING POLYCYCLIC DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2025-02-27 — — US disclosed
CN-119384410-A Deuterated terpyridyl dione compound or salt thereof, and preparation method and application thereof 深圳信立泰药业股份有限公司 2025-01-28 — — CN disclosed
CN-119306701-A Five-membered ring derivative-containing inhibitor crystal form, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-01-14 — — CN disclosed
CN-119306719-A Salt and crystal form containing pyridine polycyclic derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-01-14 — — CN disclosed
CN-114478520-B Bcl-2 protein apoptosis inducer and application thereof 杭州和正医药有限公司 2025-01-10 — — CN disclosed
EP-4464694-A1 PYRIDINE-CONTAINING POLYCYCLIC DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-11-20 — — EP disclosed
CN-118525005-A Polycyclic derivative containing pyridine, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-20 — — CN disclosed
CN-118510776-A Five-membered ring-containing derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-16 — — CN disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 — — US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 — — US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 — — US disclosed
EP-2085383-A1 PIPERIDINE DERIVATIVES OR SALTS THEREOF Astellas Pharma Inc. (JP) 2009-08-05 — — EP disclosed
EP-2010520-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES Pfizer Products Incorporated (US) 2009-01-07 — — EP disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 — — US disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 — — US disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 — — US disclosed
WO-2007122482-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2007-11-01 — — 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 (3 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-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS GCK, GCKR, HK1 NPSR1 2441/4885ALPL 1323/4885OPRK1 1059/4885
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF CASR, CYP2R1, HCAR1 NPSR1 32/4885ALPL 414/4885OPRK1 535/4885
US-20250066360-A1 PYRIDINE-CONTAINING POLYCYCLIC DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF MYD88, NOD1, LITAF NPSR1 3779/4885ALPL 1757/4885OPRK1 4723/4885

“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.