SCHEMBL20004193

SCHEMBL20004193

COC1CC(C(=O)N2CC=C(C(C)(C)C)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
NAMPT P43490 1/20 0.36
GPR183 P32249 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CD O00329 4/20 0.32
PIK3CA P42336 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
PIK3R1 P27986 3/20 0.32
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL19220893 0.82 HPGD (0.40) NAMPTJAK2JAK1HSD11B1ALDH1A1
SCHEMBL21078140 0.82 GRM5 (0.43) GRM5NAMPTGPR183JAK2JAK1
SCHEMBL17886546 0.81 MEN1 (0.32) NAMPTKMT2AHSD11B1ALDH1A1GAA
SCHEMBL17886597 0.80 TSHR (0.46) NAMPTHSD11B1ALDH1A1
SCHEMBL19220889 0.80 KEAP1 (0.42) NAMPTKMT2AHSD11B1ALDH1A1
SCHEMBL17886616 0.78 TSHR (0.49) NAMPTHSD11B1ALDH1A1
SCHEMBL19998550 0.77 GRM5 (0.41) GRM5NAMPTJAK2JAK1KMT2A
SCHEMBL12139841 0.77 NAMPT (0.44) GRM5NAMPTALDH1A1GAA
SCHEMBL17886545 0.77 JAK1 (0.35) NAMPTJAK2JAK1KMT2AALDH1A1
SCHEMBL17886558 0.77 CHRNB2 (0.40) GRM5JAK1ALDH1A1GAA

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 2 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

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-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 GRM5 1825/4885NAMPT 1885/4885GPR183 2766/4885
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 GRM5 1894/4885NAMPT 4046/4885GPR183 2444/4885

“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.