SCHEMBL2442297

SCHEMBL2442297

Cc1cccc(C(C)(C)C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.44
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
ROCK1 Q13464 1/20 0.40
CYP2C9 P11712 4/20 0.39
KIF11 P52732 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
BRAF P15056 6/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
AR P10275 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
SCHEMBL1592771 0.87 JAK2 (0.44) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL10183753 0.81 HDAC4 (0.42) ACHEJAK2ROCK2PRKCQPRKCD
SCHEMBL11852524 0.80 ACHE (0.41) ACHECYP2C9KIF11CYP3A4CYP2D6
SCHEMBL22545120 0.79 BRAF (0.44) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL10701617 0.78 CYP19A1 (0.39) ALDH1A1SMN1; SMN2
Water SCHEMBL27710899 0.78 ACHE (0.52) ACHECYP2C9KIF11CYP3A4CYP2D6
SCHEMBL1172829 0.78 CYP19A1 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL1625398 0.78 TSHR (0.45) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL22667407 0.78 KIF11 (0.44) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL1013437 0.78 TSHR (0.50) JAK2ROCK2PRKCQPRKCDROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362765-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-07 EP claimed
WO-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 WO claimed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 US claimed
US-20240009169-A9 PPARG Modulators for the Treatment of Osteoporosis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-01-11 US disclosed
WO-2023237759-A1 DIHYDRO[1,8]NAPHTHYRIDIN-7-ONE AND PYRIDO[3,2-B][1,4]OXAZIN-3-ONE FOR USE IN TREATING CANCER, AND METASTASES IN PARTICULAR ANAGENESIS BIOTECHNOLOGIES (FR) 2023-12-14 WO disclosed
US-20230192644-A1 PIPERIDINE-2,6-DIONES AS SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-22 US disclosed
WO-2023075479-A1 NOVEL THIENO[2,3-D]PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER OR AUTOIMMUNE DISEASE COMPRISING SAME AS ACTIVE INGREDIENT 재단법인 대구경북첨단의료산업진흥재단 2023-05-04 WO disclosed
US-20230072933-A1 PPARG Modulators for the Treatment of Osteoporosis SCRIPPS RESEARCH INST (US) 2023-03-09 US disclosed
US-20230072933-A1 PPARG Modulators for the Treatment of Osteoporosis SCRIPPS RESEARCH INST (US) 2023-03-09 US disclosed
US-20220220115-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-07-14 US disclosed
EP-4001267-A1 FUSED RING PYRIMIDINE AMINO COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2022-05-25 EP disclosed
US-20120309769-A1 N-BENZYLINDOLE MODULATORS OF PPARG SCRIPPS RESEARCH INSTITUTE, THE (US) 2012-12-06 US disclosed
US-20120309769-A1 N-BENZYLINDOLE MODULATORS OF PPARG SCRIPPS RESEARCH INSTITUTE, THE (US) 2012-12-06 US disclosed
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110308555-A1 PERFUME SYSTEMS PROCTER & GAMBLE COMPANY, THE 2011-12-22 US disclosed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 US disclosed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 US disclosed
US-6303782-B1 TREATING A FLUORINE-SUBSTITUTED AROMATIC COMPOUND WITH A SECONDARY NITRILE IN THE PRESENCE OF A BASE PFIZER INC 2001-10-16 US disclosed
EP-1046635-A1 Process for preparing an aromatic compound substituted by a tertiary nitrile Pfizer Products Inc. (US) 2000-10-25 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 (9 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-20110308555-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 ACHE 78/4885JAK2 4807/4885ROCK2 4128/4885
US-20220220115-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 ACHE 4746/4885JAK2 437/4885ROCK2 2105/4885
US-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 ACHE 2529/4885JAK2 200/4885ROCK2 1408/4885
US-20120309769-A1 N-BENZYLINDOLE MODULATORS OF PPARG PPARG, CDK5R1, CDK5 ACHE 3901/4885JAK2 52/4885ROCK2 1734/4885
US-20100137178-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 ACHE 69/4885JAK2 4804/4885ROCK2 4059/4885
US-20230192644-A1 PIPERIDINE-2,6-DIONES AS SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE IKZF2, IKZF1, NUTF2 ACHE 4231/4885JAK2 3787/4885ROCK2 2765/4885
US-20230072933-A1 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD ACHE 4835/4885JAK2 2845/4885ROCK2 2559/4885
US-20240009169-A9 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD ACHE 4835/4885JAK2 2845/4885ROCK2 2559/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 ACHE 3040/4885JAK2 1170/4885ROCK2 3670/4885

“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.