SCHEMBL12632136

SCHEMBL12632136

CC(C)(C)c1ccc(-c2ncc[nH]2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 3/20 0.63
MTOR P42345 1/20 0.57
ADK P55263 1/20 0.57
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP19A1 P11511 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KIF11 P52732 2/20 0.48
TRPV1 Q8NER1 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
HTR1D P28221 1/20 0.43
ADRA1A P35348 1/20 0.43
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42

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
SCHEMBL722191 0.83 NISCH (0.78) NISCHMTORADKKDM4EALDH1A1
SCHEMBL3885090 0.82 TRPV1 (0.74) KDM4EALDH1A1TRPV1HDAC6
SCHEMBL30519171 0.81 HDAC6 (0.45) NISCHMTORADKKDM4EALDH1A1
SCHEMBL862114 0.81 NISCH (0.75) NISCHMTORADKKDM4EALDH1A1
SCHEMBL772274 0.81 NISCH (0.58) NISCHMTORADKKDM4EALDH1A1
SCHEMBL116938 0.79 NISCH (0.55) NISCHMTORADKKDM4EALDH1A1
SCHEMBL674010 0.78 NISCH (1.00) NISCHMTORADKKDM4EALDH1A1
SCHEMBL6003473 0.77 CYP1A2 (0.59) NISCHMTORADKKDM4EALDH1A1
SCHEMBL16382999 0.77 NISCH (0.58) NISCHMTORADKKDM4EALDH1A1
SCHEMBL28230038 0.76 NISCH (0.96) NISCHMTORADKKDM4EALDH1A1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116970965-A Electrochemical incomplete hydrogenation method of imidazopyridine compound 上海兆维科技发展有限公司 2023-10-31 CN disclosed
US-20220000874-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-01-06 US disclosed
US-11136321-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
CN-112805000-A 2-arylbenzimidazoles as PPARGC1A activators for the treatment of neurodegenerative diseases 小利兰·斯坦福大学董事会 2021-05-14 CN disclosed
US-20200407361-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2020-12-31 US disclosed
CN-106866661-B A kind of preparation method of cyanomethylation Imidazopyridine compound 南京师范大学 2019-02-22 CN disclosed
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 US disclosed
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US disclosed
CN-106866661-A A kind of preparation method of cyanomethylation Imidazopyridine compound 南京师范大学 2017-06-20 CN disclosed
CN-106831765-A 2 (2,6 dicyano phenyl) imidazo [1,2 α] pyridine compounds and theirs and preparation method thereof 郑州大学 2017-06-13 CN disclosed
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-8901142-B2 Fused tricyclic compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-12-02 US disclosed
US-20140171456-A1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-06-19 US disclosed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 US disclosed
US-7947684-B2 anticoagulants; immunomoderators; antiinflammatory agents AVENTIS PHARMACEUTICALS INC. (US) 2011-05-24 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 (6 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-20140171456-A1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPTOR NISCH 4679/4885MTOR 1/4885ADK 1624/4885
US-20220000874-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL NISCH 172/4885MTOR 351/4885ADK 3520/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL NISCH 172/4885MTOR 351/4885ADK 3520/4885
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH NISCH 2526/4885MTOR 163/4885ADK 2476/4885
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPS6KA5 NISCH 3460/4885MTOR 1/4885ADK 602/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL NISCH 172/4885MTOR 351/4885ADK 3520/4885

“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.