Sugi Predict

Sugi Predict / Compounds / SCHEMBL485347

SCHEMBL485347

SCHEMBL485347

FC(F)(F)c1cccc2c(Br)ccnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.51
▸ PARP1 P09874 1/20 0.49
▸ NR1H2 P55055 7/20 0.46
▸ NR1H3 Q13133 7/20 0.46
▸ GSK3A P49840 3/20 0.44
▸ GSK3B P49841 3/20 0.44
▸ CLK2 P49760 2/20 0.44
▸ CSNK2A1 P68400 2/20 0.44
▸ STK3 Q13188 2/20 0.44
▸ CLK4 Q9HAZ1 2/20 0.44
▸ DYRK3 O43781 1/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ FLT4 P35916 1/20 0.44
▸ CSNK1D P48730 1/20 0.44
▸ LIMK1 P53667 1/20 0.44
▸ CDK5 Q00535 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44

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
SCHEMBL29862680 1.00 NCF1 (0.51) NCF1PARP1NR1H2NR1H3GSK3A
SCHEMBL3710953 0.86 KMT2A (0.54) NCF1PARP1NR1H2NR1H3MEN1
SCHEMBL29456440 0.86 KMT2A (0.54) NCF1PARP1NR1H2NR1H3MEN1
SCHEMBL16248304 0.80 NCF1 (0.52) NCF1PARP1NR1H2NR1H3GSK3A
SCHEMBL9033424 0.80 PSMD14 (0.62) NCF1PARP1NR1H2NR1H3GSK3A
SCHEMBL2876591 0.79 NCF1 (0.51) NCF1PARP1NR1H2NR1H3GSK3A
SCHEMBL317787 0.79 NCF1 (0.51) NCF1PARP1NR1H2NR1H3GSK3A
SCHEMBL30880479 0.79 NCF1 (0.51) NCF1PARP1NR1H2NR1H3GSK3A
SCHEMBL2876594 0.79 NR4A2 (0.56) NCF1PARP1NR1H2NR1H3GSK3A
SCHEMBL7757756 0.79 NCF1 (0.55) NCF1PARP1NR1H2NR1H3GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4055014-B1 PYRROLIDINE AND PIPERIDINE COMPOUNDS YUHAN CORP (KR) 2025-04-30 — — EP disclosed
CN-114867719-B Pyrrolidine and piperidine compounds 柳韩洋行 2024-06-25 — — CN disclosed
CN-115477588-B Lipid regulating compound based on cholesterol reverse transport path, synthesis method and application 中国药科大学 2023-11-17 — — CN disclosed
US-11655235-B2 Pyrrolidine and piperidine compounds YUHAN CORPORATION (KR) 2023-05-23 — — US disclosed
CN-115477588-A Compound for regulating blood fat based on reverse cholesterol transport pathway, synthetic method and application 中国药科大学 2022-12-16 — — CN disclosed
EP-4055014-A1 PYRROLIDINE AND PIPERIDINE COMPOUNDS Yuhan Corporation (KR) 2022-09-14 — — EP disclosed
CN-114867719-A Pyrrolidine and piperidine compounds 柳韩洋行 2022-08-05 — — CN disclosed
US-20220213114-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2022-07-07 — — US disclosed
US-11312723-B2 Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases THE ROCKEFELLER UNIVERSITY (US) 2022-04-26 — — US disclosed
US-20210147386-A1 PYRROLIDINE AND PIPERIDINE COMPOUNDS YUHAN CORPORATION (KR) 2021-05-20 — — US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — US disclosed
CN-102365276-A Substituted spiro-amide compounds GRUENENTHAL GMBH 2012-02-29 — — CN disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 — — EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 — — WO disclosed
US-20090069373-A1 Quinoline Acids WYETH (US) 2009-03-12 — — US disclosed
EP-0696291-B1 PYRIDO(1,2,3-DE)QUINOXALINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND THEIR USE IN MEDICAMENTS SCHERING AG (DE) 1998-08-19 — — EP disclosed
EP-0696291-A1 PYRIDO(1,2,3-DE)QUINOXALINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND THEIR USE IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1996-02-14 — — EP disclosed
WO-1994025472-A1 PYRIDO(1,2,3-DE)QUINOXALINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND THEIR USE IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1994-11-10 — — WO disclosed
US-4801717-A PLANT GROWTH REGULATORS ROUSSEL UCLAF (FR) 1989-01-31 — — US 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 (6 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-11312723-B2 Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases TFPI, TFPI2, SERPINC1 NCF1 425/4885PARP1 1296/4885NR1H2 3869/4885
US-20220213114-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI, TFPI2, SERPINC1 NCF1 425/4885PARP1 1296/4885NR1H2 3869/4885
US-11655235-B2 Pyrrolidine and piperidine compounds FAP, APC, VHL NCF1 3946/4885PARP1 275/4885NR1H2 4627/4885
US-20090069373-A1 Quinoline Acids NR1H3, NR1H2, NR1H4 NCF1 2064/4885PARP1 3366/4885NR1H2 2/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN NCF1 2924/4885PARP1 1255/4885NR1H2 99/4885
US-20210147386-A1 PYRROLIDINE AND PIPERIDINE COMPOUNDS FAP, APC, VHL NCF1 3946/4885PARP1 275/4885NR1H2 4627/4885

“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.