SCHEMBL12376590

SCHEMBL12376590

CC(C)(C)c1ccc(C(=O)NCCN2CCCCC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
ALDH1A1 P00352 5/20 0.72
LMNA P02545 1/20 0.72
GAA P10253 1/20 0.72
MAPT P10636 1/20 0.72
MAPK1 P28482 1/20 0.72
HTT P42858 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
NPSR1 Q6W5P4 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
POLB P06746 1/20 0.65
GLA P06280 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
EPHX2 P34913 1/20 0.62
HPGD P15428 2/20 0.60
KDM4E B2RXH2 1/20 0.60
HDAC2 Q92769 1/20 0.58

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
SCHEMBL10202448 0.99 MEN1 (0.77) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL15317657 0.90 ALDH1A1 (0.89) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL17886705 0.89 SMN1; SMN2 (0.77) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL17886769 0.86 ALDH1A1 (0.69) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL11478379 0.86 CD274 (0.71) ALDH1A1LMNAGAAMAPTMAPK1
SCHEMBL10195008 0.85 NPSR1 (0.94) MEN1KMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL17886674 0.85 ALDH1A1 (0.67) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL17886696 0.85 ALDH1A1 (0.67) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL12203378 0.84 MEN1 (0.76) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL279945 0.84 NPSR1 (0.97) MEN1KMT2AALDH1A1NPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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 (5 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 MEN1 2118/4885KMT2A 1797/4885ALDH1A1 1339/4885
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC MEN1 3149/4885KMT2A 4415/4885ALDH1A1 1635/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 MEN1 2118/4885KMT2A 1797/4885ALDH1A1 1339/4885
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 MEN1 3827/4885KMT2A 3615/4885ALDH1A1 875/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 MEN1 2118/4885KMT2A 1797/4885ALDH1A1 1339/4885

“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.