SCHEMBL178452

SCHEMBL178452

Cc1ccc(C#N)cc1N

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CASP1 P29466 1/20 0.50
CYP3A4 P08684 3/20 0.46
CYP2A6 P11509 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TSHR P16473 2/20 0.39
EGLN2 Q96KS0 2/20 0.39
AR P10275 3/20 0.39
MAPK1 P28482 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 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
SCHEMBL29502034 1.00 ALDH1A1 (0.50) ALDH1A1TDP1CASP1CYP3A4CYP2A6
Hydrochloric Acid SCHEMBL6476027 0.98 ALDH1A1 (0.48) ALDH1A1TDP1CASP1CYP3A4CYP2A6
SCHEMBL31757929 0.84 KIF11 (0.46) ALDH1A1TDP1CASP1CYP3A4CYP2A6
SCHEMBL3468432 0.84 KIF11 (0.46) ALDH1A1TDP1CASP1CYP3A4CYP2A6
SCHEMBL627108 0.82 CYP3A4 (0.50) ALDH1A1TDP1CYP3A4CYP2A6KDM4E
SCHEMBL29443092 0.78 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4CYP2A6KDM4E
SCHEMBL11277214 0.78 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4CYP2A6KDM4E
SCHEMBL352155 0.78 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4CYP2A6KDM4E
SCHEMBL1436903 0.78 CYP2A6 (0.52) ALDH1A1CYP2A6EGLN2ARCYP11B1
SCHEMBL29814587 0.78 CYP2A6 (0.52) ALDH1A1CYP2A6EGLN2ARCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036615-A Indazole hydrazide compound and preparation method and application thereof 南京农业大学 2026-05-15 CN disclosed
US-20260091048-A1 GIP RECEPTOR AGONIST COMPOUNDS LILLY CO ELI (US) 2026-04-02 US disclosed
US-20260049080-A1 WILD TYPE KIT INHIBITORS BLUEPRINT MEDICINES CORP (US) 2026-02-19 US disclosed
WO-2025224512-A1 NOVEL COMPOUND AS 17-BETA-HYDROXYSTEROID DEHYDROGENASE 13 (HSD17B13) INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2025-10-30 WO disclosed
EP-4638441-A1 GLYCINE DERIVATIVES WITH P2X4 RECEPTOR-BLOCKING ACTIVITY AS DIAGNOSTICS AND FOR THE TREATMENT OF PAIN, INFLAMMATION, CANCER, AND OTHER P2X4 RECEPTOR-RELATED DISEASES Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2025-10-29 EP disclosed
US-12448379-B2 Wild type kit inhibitors BLUEPRINT MEDICINES CORPORATION (US) 2025-10-21 US disclosed
EP-4630424-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS Third Harmonic Bio, Inc. (US) 2025-10-15 EP disclosed
EP-4630423-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS Third Harmonic Bio, Inc. (US) 2025-10-15 EP disclosed
US-20250304600-A1 PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS AS c-KIT KINASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2025-10-02 US disclosed
CN-116655497-B Amidine derivative compound and preparation method and application thereof 中国科学院上海药物研究所 2025-06-03 CN disclosed
US-4473498-A Water-soluble, fiber-reactive organic dyestuffs containing a β-chloro-ethylsulfonyl-methyl-benzoic acid amide group HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-25 US disclosed
EP-0012969-B1 WATER-SOLUBLE FIBRE-REACTIVE COMPOUNDS AND THEIR USE IN FIBRE FINISHING,ESPECIALLY AS DYESTUFFS,AND DIHALOGENO-PYRIDAZONYL-CARBOXYLIC AND SULFONIC ACID HALIDES AND THEIR USE AS FIBRE-REACTIVE ANCHORS,AS WELL AS PROCESS FOR THE PREPARATION OF THESE COMPOUND HOECHST AKTIENGESELLSCHAFT (DE) 1983-06-08 EP disclosed
EP-0045488-A2 Water-soluble fibre-reactive compounds and their use in finishing textiles, as well as the beta-chloroethyl-sulfonyl-methyl-benzoic-acid halogenides, and their use as a fibre-reactive anchor HOECHST AKTIENGESELLSCHAFT (DE) 1982-02-10 EP disclosed
EP-0012969-A2 Water-soluble fibre-reactive compounds and their use in fibre finishing,especially as dyestuffs,and dihalogeno-pyridazonyl-carboxylic and sulfonic acid halides and their use as fibre-reactive anchors,as well as process for the preparation of these compound HOECHST AKTIENGESELLSCHAFT (DE) 1980-07-09 EP disclosed
US-4118384-A DIAZOTIZATION BAYER AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-4046554-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1977-09-06 US disclosed
US-4035350-A Process for the preparation of water-soluble azo dyestuffs by reacting an aromatic amine and a coupling component with alkali metal nitrite or alkyl nitrite in the absence of acid HOECHST AKTIENGESELLSCHAFT (DT) 1977-07-12 US disclosed
US-3992428-A REACTING UREA AND HEXAMETHYLDISILAZANE IN THE PRESENCE OF A NITROGEN CONTAINING SALT WACKER-CHEMIE GMBH (DT) 1976-11-16 US disclosed
US-3966811-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1976-06-29 US disclosed
US-3953420-A Azo pigments derived from 2-hydroxy-3-carboxynaphthalene containing a substituted or unsubstituted phthalimide BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-04-27 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 (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-20250304600-A1 PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS AS c-KIT KINASE INHIBITORS KIT, PDGFRA, PDGFRB ALDH1A1 1140/4885TDP1 2920/4885CASP1 1815/4885
US-20260049080-A1 WILD TYPE KIT INHIBITORS KIT, CSNK1A1, CSNK1A1L ALDH1A1 741/4885TDP1 1669/4885CASP1 1486/4885
US-12448379-B2 Wild type kit inhibitors KIT, TNK1, TNNI3K ALDH1A1 1830/4885TDP1 2265/4885CASP1 2510/4885
US-20260091048-A1 GIP RECEPTOR AGONIST COMPOUNDS GIPR, GLP1R, GPR119 ALDH1A1 3578/4885TDP1 4683/4885CASP1 4414/4885

“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.