SCHEMBL15317690

SCHEMBL15317690

CN1CCCC1CCNC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
HTT P42858 1/20 0.59
CHRM3 P20309 1/20 0.53
ACKR3 P25106 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
BRAF P15056 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48

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
SCHEMBL10203245 0.87 MEN1 (0.49) MAPK1SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL6572449 0.87 HDAC8 (0.56) ACKR3BRAFTLR9TLR8TLR7
SCHEMBL10196660 0.87 ACKR3 (0.64) SMN1; SMN2LMNAACKR3NPC1RAB9A
SCHEMBL12156581 0.86 ACKR3 (0.51) MAPK1ALDH1A1LMNAACKR3BRAF
SCHEMBL13118285 0.85 ACKR3 (0.61) CHRM3ACKR3
SCHEMBL14640456 0.85 BRAF (0.53) MAPK1SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL8162955 0.84 ACKR3 (0.63) SMN1; SMN2CHRM3ACKR3NPC1RAB9A
SCHEMBL3034950 0.84 BRAF (0.55) ACKR3BRAFTLR9TLR8TLR7
SCHEMBL17886709 0.83 ALDH1A1 (0.53) MAPK1SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL3043651 0.83 ACKR3 (0.51) ACKR3BRAFTLR9TLR8TLR7

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 11 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-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-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-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 MAPK1 81/4885SMN1; SMN2 3249/4885ALDH1A1 1339/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 MAPK1 81/4885SMN1; SMN2 3249/4885ALDH1A1 1339/4885
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 MAPK1 1717/4885SMN1; SMN2 3843/4885ALDH1A1 875/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 MAPK1 81/4885SMN1; SMN2 3249/4885ALDH1A1 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.