SCHEMBL296497

SCHEMBL296497

Cc1cc[nH]c(=O)c1C#N

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.45
GAA P10253 3/20 0.45
MCL1 Q07820 1/20 0.44
UPP1 Q16831 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.38
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.36
HPGD P15428 3/20 0.36
GLA P06280 2/20 0.36
TP53 P04637 1/20 0.36
PDE9A O76083 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE1C Q14123 1/20 0.34

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
SCHEMBL2922142 0.75 HAVCR2 (0.50) KDM4EGAAMCL1UPP1RECQL
SCHEMBL13906254 0.75 MCL1 (0.44) KDM4EGAAMCL1UPP1ALDH1A1
SCHEMBL5370129 0.75 MCL1 (0.44) MCL1RECQLTDP1ATM
SCHEMBL103159 0.75 MAPT (0.49) KDM4EGAAMCL1ALDH1A1POLB
SCHEMBL11021805 0.73 KDM4E (0.45) KDM4EGAAMCL1ALDH1A1POLB
SCHEMBL5794988 0.71 KDM4E (0.51) KDM4EGAAMCL1ALDH1A1POLB
SCHEMBL791101 0.70
SCHEMBL3821760 0.70 ALDH1A1 (0.41) KDM4EGAAMCL1ALDH1A1HPGD
SCHEMBL19086336 0.69 ATM (0.57) KDM4EGAAMCL1RECQLALDH1A1
SCHEMBL7975208 0.69 CYP1A2 (0.46) KDM4EGAAUPP1RECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117045650-A Application of UPP1 inhibitor in preparation of medicament for treating psoriasis 上海市东方医院(同济大学附属东方医院) 2023-11-14 CN claimed
CN-113603636-A Preparation method of Sotoraib intermediate 江苏弘和药物研发有限公司 2021-11-05 CN claimed
CN-113354578-A Synthetic method of 2-isopropyl-3-amino-4-methylpyridine 江苏弘和药物研发有限公司 2021-09-07 CN claimed
EP-1326836-B1 PROCESS FOR MAKING 3-AMINO-2-CHLORO-4-METHYLPYRIDINE BOEHRINGER INGELHEIM CHEMICALS (US) 2004-05-06 EP claimed
EP-1326836-A1 PROCESS FOR MAKING 3-AMINO-2-CHLORO-4-METHYLPYRIDINE Boehringer Ingelheim Chemicals, Inc. (US) 2003-07-16 EP claimed
US-6399781-B1 A KEY INTERMEDIATE IN THE PRODUCTION OF NEVIRAPINE, STARTING BY REACTING ACETYLACETALDEHYDE DIMETHYL ACETAL WITH MALONONITRILE, IN THE PRESENCE OF AN AMMONIUM SALT CATALYST BOEHRINGER INGELHEIM CHEMICALS, INC. 2002-06-04 US claimed
US-20020052507-A1 Process for making 3-amino-2-chloro-4-methylpyridine BOEHRINGER INGELHEIM CHEMICALS, INC. 2002-05-02 US claimed
WO-2002030901-A1 PROCESS FOR MAKING 3-AMINO-2-CHLORO-4-METHYLPYRIDINE BOEHRINGER INGELHEIM CHEMICALS, INC. (US) 2002-04-18 WO claimed
CN-117045650-B Application of UPP1 inhibitor in preparation of medicament for treating psoriasis 上海市东方医院(同济大学附属东方医院) 2025-10-03 CN disclosed
US-12371428-B2 Pyridone compounds and methods of use EXELIXIS, INC. (US) 2025-07-29 US disclosed
US-20250154109-A1 SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC 2025-05-15 US disclosed
WO-2025029890-A1 SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2025-02-06 WO disclosed
EP-4219463-B1 TERPYRIDINE DIKETONE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHENZHEN SALUBRIS PHARM CO LTD (CN) 2025-01-15 EP disclosed
EP-4472966-A2 SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE Latigo Biotherapeutics, Inc. (US) 2024-12-11 EP disclosed
WO-2002030901-A1 PROCESS FOR MAKING 3-AMINO-2-CHLORO-4-METHYLPYRIDINE BOEHRINGER INGELHEIM CHEMICALS, INC. (US) 2002-04-18 WO disclosed
EP-0708147-B1 Laser marking resin composition JAPAN SYNTHETIC RUBBER CO LTD (JP) 1998-08-05 EP disclosed
US-5760120-A MOLDING MATERIALS, IMPACT RESISTANCE, RUBBER REINFORCED RESIN, TITANIUM BLACK, BLACK IRON OXIDE, YELLOW IRON OXIDE JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-06-02 US disclosed
EP-0708147-A1 Laser marking resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1996-04-24 EP disclosed
WO-1994012352-A1 POLYMER COMPOSITION COMPRISING A POLYMER AND AT LEAST ONE RADIATION-SENSITIVE COMPONENT DSM N.V. (NL) 1994-06-09 WO disclosed
EP-0095152-A1 A process for preparing nicotinonitriles and intermediates used therein STERLING DRUG INC. (US) 1983-11-30 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 (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-20250154109-A1 SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE SCN8A, TRPV1, SCNN1A KDM4E 3364/4885GAA 1763/4885MCL1 3931/4885
US-12371428-B2 Pyridone compounds and methods of use PDXK, PLK2, MAP4K2 KDM4E 2816/4885GAA 2746/4885MCL1 1466/4885
US-20020052507-A1 Process for making 3-amino-2-chloro-4-methylpyridine MTAP, TPMT, AMPD2 KDM4E 257/4885GAA 1840/4885MCL1 488/4885

“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.