Sugi Predict

Sugi Predict / Compounds / SCHEMBL393514

SCHEMBL393514

SCHEMBL393514

O=[N+]([O-])c1cccnc1SCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 1.00
▸ KMT2A Q03164 4/20 1.00
▸ MAPT P10636 4/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ ALDH1A1 P00352 5/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ RAB9A P51151 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ PKM P14618 2/20 0.50
▸ EGFR P00533 1/20 0.50
▸ HTT P42858 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ GSTP1 P09211 1/20 0.49
▸ GSTM2 P28161 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ ATM Q13315 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 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
SCHEMBL30498938 1.00 MEN1 (1.00) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL5797619 0.87 MEN1 (0.77) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL21046089 0.86 MEN1 (0.76) MEN1KMT2AMAPTMAPK1POLB
Pyridine SCHEMBL27445603 0.84 MEN1 (0.70) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL5795803 0.84 KMT2A (0.71) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL1722633 0.81 MEN1 (0.68) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL15227431 0.80 MEN1 (0.66) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL15227436 0.80 MEN1 (0.66) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL13437361 0.80 MEN1 (0.66) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL20374684 0.79 MEN1 (0.66) MEN1KMT2AMAPTALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003037866-A1 ANTIRETROVIRAL PYRIDINE AND QUINOLINE DERIVATIVES UNIROYAL CHEMICAL COMPANY, INC. (US) 2003-05-08 — — WO claimed
US-6498254-B1 Antiretroviral compounds and compositions UNIROYAL CHEMICAL COMPANY, INC. 2002-12-24 — — US claimed
JP-6228099-A — — None — — JP disclosed
JP-6228098-A — — None — — JP disclosed
EP-4464699-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF Lisen Therapeutics, Inc. (US) 2024-11-20 — — EP disclosed
US-20240360145-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF LISEN THERAPEUTICS, INC. 2024-10-31 — — US disclosed
CN-118084896-A Benzopyran compounds 正大天晴药业集团股份有限公司 2024-05-28 — — CN disclosed
WO-2023134582-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 上海立森印迹医药技术有限公司 2023-07-20 — — WO disclosed
CN-116444488-A Pyrimidine-2, 4-diamine derivative and preparation method and application thereof 上海立森印迹医药技术有限公司 2023-07-18 — — CN disclosed
US-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family CTXT PTY LIMITED (AU) 2021-12-09 — — US disclosed
EP-3676266-A1 FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY Ctxt Pty Ltd (AU) 2020-07-08 — — EP disclosed
US-5714436-A PRE- AND POSTEMERGENCE HERBICIDES; RICE; CROPS; MONO- AND DICOTYLEDONS HOECHST SCHERING AGREVO GMBH (DE) 1998-02-03 — — US disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 — — US disclosed
EP-0715629-B1 N-HETEROARYL-N'(PYRID-2-YL-SULPHONYL) UREAS, PROCESSES FOR THE MANUFACTURE THEREOF, USES THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1997-01-29 — — EP disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 — — EP disclosed
EP-0715629-A1 N-HETEROARYL-N'(PYRID-2-YL-SULPHONYL) UREAS, PROCESSES FOR THE MANUFACTURE THEREOF, USES THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1996-06-12 — — EP disclosed
WO-1995006049-A1 N-HETEROARYL-N'(PYRID-2-YL-SULPHONYL) UREAS, PROCESSES FOR THE MANUFACTURE THEREOF, USES THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1995-03-02 — — WO disclosed
JP-H06228099-A PRODUCTION OF THIOL-PROTECTING DERIVATIVE SANKYO KAGAKU KK 1994-08-16 — — JP disclosed
JP-H06228098-A PRODUCTION OF 3-NITRO-2-PYRIDINESULFENYL CHLORIDE SANKYO KAGAKU KK 1994-08-16 — — JP disclosed
EP-0555770-A1 N-Heteroaryl-N'-(pyrid-2-yl-sulfonyl)-ureas, process for their preparation, and their use as herbicides and plant growth regulators Hoechst Schering AgrEvo GmbH (DE) 1993-08-18 — — EP 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 (2 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-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family KAT5, KAT6A, KAT2A MEN1 1280/4885KMT2A 86/4885MAPT 422/4885
US-20240360145-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF DPYD, TYMP, TYMS MEN1 1205/4885KMT2A 2435/4885MAPT 454/4885

“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.