SCHEMBL17888271

SCHEMBL17888271

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.43
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
GRM1 Q13255 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMO Q99835 4/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
GRM5 P41594 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CNR1 P21554 1/20 0.32
NLRP3 Q96P20 1/20 0.31
CHEK1 O14757 1/20 0.31
FLT3 P36888 1/20 0.31

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
SCHEMBL17888233 0.89 GRM1 (0.45) NAMPTCYP3A4GRM1MEN1KMT2A
SCHEMBL17888231 0.84 JAK1 (0.40) NAMPTCYP2C9GRM1MEN1KMT2A
SCHEMBL19226320 0.84 NAMPT (0.43) NAMPTCYP3A4CYP2C9GRM1MEN1
SCHEMBL21077861 0.83 NAMPT (0.43) NAMPTCYP3A4CYP2C9GRM1MEN1
SCHEMBL7914538 0.80 BLM (0.41) NAMPTMEN1KMT2AGRM5
SCHEMBL2606198 0.80 MEN1 (0.40) NAMPTMEN1KMT2ACNR1
SCHEMBL12285920 0.79 KDM4E (0.51) NAMPTMEN1KMT2ASMOKDM4E
SCHEMBL17888232 0.77 MEN1 (0.44) NAMPTMEN1KMT2ASMOCNR1
SCHEMBL17888228 0.77 NAMPT (0.49) NAMPTMEN1KMT2AGRM5
SCHEMBL16255739 0.76 MEN1 (0.41) NAMPTMEN1KMT2AJAK2JAK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP 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 (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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 NAMPT 1885/4885CYP3A4 516/4885CYP2C9 321/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 NAMPT 1885/4885CYP3A4 516/4885CYP2C9 321/4885

“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.