SCHEMBL19220893

SCHEMBL19220893

CC(C)(C)C1=CCN(C(=O)C2CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
JAK1 P23458 2/20 0.39
HSD11B1 P28845 1/20 0.39
JAK2 O60674 1/20 0.39
TYK2 P29597 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
KEAP1 Q14145 1/20 0.38
NAMPT P43490 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CNR2 P34972 2/20 0.37
RXRA P19793 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
SCHEMBL19998550 0.94 GRM5 (0.41) HPGDJAK1HSD11B1JAK2TYK2
SCHEMBL19220889 0.94 KEAP1 (0.42) HPGDHSD11B1ALDH1A1KEAP1NAMPT
SCHEMBL17886597 0.94 TSHR (0.46) HSD11B1ALDH1A1KEAP1NAMPTTSHR
SCHEMBL17886616 0.92 TSHR (0.49) HSD11B1ALDH1A1KEAP1NAMPTTSHR
SCHEMBL12139841 0.91 NAMPT (0.44) ALDH1A1KEAP1NAMPTKDM4EUSP2
SCHEMBL17886596 0.90 MAPT (0.47) NAMPTCNR2
SCHEMBL17886570 0.89 JAK1 (0.37) HPGDJAK1HSD11B1JAK2TYK2
SCHEMBL17886545 0.84 JAK1 (0.35) JAK1JAK2ALDH1A1NAMPTKDM4E
SCHEMBL17886600 0.84 NAMPT (0.48) NAMPTCNR2
SCHEMBL17886556 0.83 JAK1 (0.35) JAK1HSD11B1JAK2ALDH1A1NAMPT

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 5 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-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 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

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-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 HPGD 994/4885JAK1 3/4885HSD11B1 3719/4885
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 HPGD 2648/4885JAK1 1/4885HSD11B1 3216/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 HPGD 994/4885JAK1 3/4885HSD11B1 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.