SCHEMBL17886898

SCHEMBL17886898

CC(C)(C)N1CCCC(c2ccccn2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.45
MAP4K4 O95819 1/20 0.45
HSD11B1 P28845 1/20 0.42
KDM5A P29375 1/20 0.41
SPR P35270 1/20 0.40
DGAT2 Q96PD7 1/20 0.40
USP30 Q70CQ3 1/20 0.40
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
RIPK1 Q13546 1/20 0.36
PDCD1LG2 Q9BQ51 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
MAP3K12 Q12852 1/20 0.36

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
SCHEMBL12026526 0.84 RIPK1 (0.41) DRD4HSD11B1KDM5ASPRALDH1A1
SCHEMBL17886515 0.81 DRD4 (0.45) DRD4HSD11B1ALDH1A1MAPTCHRM2
SCHEMBL10274489 0.80 KCNH2 (0.52) DRD4MAP4K4HSD11B1KDM5ASPR
SCHEMBL17886856 0.78 MAP4K4 (0.47) DRD4MAP4K4HSD11B1KDM5AMAP3K12
SCHEMBL6351706 0.77 DRD4 (0.47) DRD4MAP4K4HSD11B1KDM5ASPR
SCHEMBL18239070 0.77 DRD4 (0.47) DRD4MAP4K4HSD11B1KDM5ASPR
SCHEMBL17896380 0.77 DRD2 (0.47) DRD4MAP4K4HSD11B1KDM5ASPR
SCHEMBL19016266 0.77 DRD4 (0.45) DRD4MAP4K4HSD11B1KDM5ASPR
SCHEMBL12363955 0.76 DRD2 (0.55) DRD4ALDH1A1RIPK1
SCHEMBL17886858 0.75 MAP4K4 (0.50) MAP4K4KDM5AALDH1A1MAPT

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 6 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

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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 DRD4 4544/4885MAP4K4 27/4885HSD11B1 3719/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 DRD4 4544/4885MAP4K4 27/4885HSD11B1 3719/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 DRD4 4544/4885MAP4K4 27/4885HSD11B1 3719/4885

“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.