SCHEMBL19220889

SCHEMBL19220889

CC(C)(C)C1=CCN(C(=O)C2CCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
CNR2 P34972 2/20 0.41
NAMPT P43490 2/20 0.41
HDAC6 Q9UBN7 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TNK2 Q07912 1/20 0.39
HPGD P15428 1/20 0.38
HSD11B1 P28845 2/20 0.37
HSD11B2 P80365 1/20 0.37
LMNA P02545 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
SCHEMBL17886597 0.97 TSHR (0.46) KEAP1ALDH1A1TSHRCNR2NAMPT
SCHEMBL17886616 0.95 TSHR (0.49) KEAP1ALDH1A1TSHRCNR2NAMPT
SCHEMBL19220893 0.94 HPGD (0.40) KEAP1ALDH1A1TSHRCNR2NAMPT
SCHEMBL19998550 0.88 GRM5 (0.41) KEAP1ALDH1A1TSHRCNR2NAMPT
SCHEMBL12139841 0.88 NAMPT (0.44) KEAP1ALDH1A1TSHRNAMPTMAPT
SCHEMBL17886596 0.87 MAPT (0.47) CNR2NAMPTMAPT
SCHEMBL17886570 0.83 JAK1 (0.37) KEAP1ALDH1A1TSHRCNR2NAMPT
SCHEMBL17886545 0.82 JAK1 (0.35) ALDH1A1TSHRNAMPTMEN1KMT2A
SCHEMBL17886600 0.81 NAMPT (0.48) CNR2NAMPTMAPT
SCHEMBL19226370 0.81 KEAP1 (0.48) KEAP1ALDH1A1TSHRNAMPTHDAC6

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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 KEAP1 3574/4885ALDH1A1 1534/4885TSHR 760/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 KEAP1 1622/4885ALDH1A1 1339/4885TSHR 2621/4885

“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.