SCHEMBL358617

SCHEMBL358617

CC(C)(C#N)c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 2/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KIF11 P52732 2/20 0.38
MTOR P42345 3/20 0.38
PIK3CA P42336 2/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
ACHE P22303 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
APP P05067 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
RORC P51449 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
SCHEMBL6563317 0.87 KIF11 (0.41) MAPTALDH1A1NPC1RAB9AMAPK1
SCHEMBL24993131 0.83 ALDH1A1 (0.45) MAPTALDH1A1NPC1RAB9AMAPK1
SCHEMBL11044204 0.80 KIF11 (0.52) MAPTALDH1A1NPC1RAB9AMAPK1
SCHEMBL307338 0.78 TSHR (0.52) MAPTALDH1A1NPC1RAB9AKIF11
Acetonitrile SCHEMBL1027924 0.78 RAB9A (0.61) MAPTALDH1A1NPC1RAB9AMAPK1
SCHEMBL12026568 0.77 CYP2D6 (0.42) ALDH1A1NPC1RAB9AHPGDKIF11
SCHEMBL7540748 0.77 MAPT (0.44) MAPTALDH1A1NPC1RAB9AMAPK1
SCHEMBL3942362 0.77 TAAR1 (0.52) ALDH1A1KMT2AESR1ESR2CYP1A2
SCHEMBL11055 0.76 APP (0.36) KIF11MTORPIK3CAESR1ESR2
SCHEMBL306585 0.76 KIF11 (0.59) ALDH1A1KIF11EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119613279-A N-substituted benzene ring bioisostere and preparation method thereof 上海交通大学 2025-03-14 CN claimed
CN-111187181-B Preparation method of 2- (4-aminophenyl) -2-methylpropanenitrile compound 吉林大学 2023-05-05 CN claimed
CN-111187181-A Preparation method for synthesizing 2- (4-aminophenyl) -2-methylpropanenitrile compound from 2, 2-dimethyl-N-phenyl-propionamide 吉林大学 2020-05-22 CN claimed
CN-107952425-B Preparation method of antitumor drug NVP-BEZ235 intermediate 四川协力制药股份有限公司 2020-05-08 CN claimed
CN-107952425-A A kind of preparation method of antitumor drug NVP-BEZ235 intermediates 高军 2018-04-24 CN claimed
CN-104744302-A Preparation method of 2-(4-aminophenyl)-2-methyl propionitrile compound SHANGHAI PHARMVALLEY CORP 2015-07-01 CN claimed
JP-2007523865-A 2007-08-23 JP claimed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US claimed
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP claimed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 US claimed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 WO claimed
US-12544448-B2 C40-, C28-, and C-32-linked rapamycin analogs as mTOR inhibitors Revolution Medicines, Inc. (US) 2026-02-10 US disclosed
EP-4644380-A1 PYRIDAZINE NLRP3 INHIBITOR COMPOUND, PHARMACEUTICAL COMPOSITION, AND PREPARATION METHOD THEREFOR AND USE THEREOF Changchun Genescience Pharmaceutical Co., Ltd. (CN) 2025-11-05 EP disclosed
EP-4635942-A1 QUINOLINE DERIVATIVE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Carephar Pharmaceutical Co., Ltd (CN) 2025-10-22 EP disclosed
US-20250179103-A1 6-OXODECAHYDROPYRROLO[1,2-A][1,5]DIAZOCINE AND 6-OXODECAHYDRO-4H-PYRROLO[2,1-D][1,5]THIAZOCINE DERIVATIVES AS STAT3 AND STAT6 MODULATORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS RECLUDIX PHARMA, INC. 2025-06-05 US disclosed
WO-2002032422-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed
US-4882342-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-11-21 US disclosed
EP-0266558-A2 5-Alkylbenzimidazoles, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1988-05-11 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-20250179103-A1 6-OXODECAHYDROPYRROLO[1,2-A][1,5]DIAZOCINE AND 6-OXODECAHYDRO-4H-PYRROLO[2,1-D][1,5]THIAZOCINE DERIVATIVES AS STAT3 AND STAT6 MODULATORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS STAT6, STAT3, STAT1 MAPT 4297/4885ALDH1A1 531/4885NPC1 3324/4885
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I TRPV1, OPRL1, TRPV6 MAPT 4422/4885ALDH1A1 843/4885NPC1 1062/4885
US-12544448-B2 C40-, C28-, and C-32-linked rapamycin analogs as mTOR inhibitors RICTOR, MTOR, MLST8 MAPT 865/4885ALDH1A1 4781/4885NPC1 1726/4885

“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.