SCHEMBL20671969

SCHEMBL20671969

CC(C)(C)Cc1ccc(C(=O)NCc2cn[nH]c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.52
ROCK2 O75116 2/20 0.49
EPHX2 P34913 8/20 0.49
NR1H4 Q96RI1 6/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
ROCK1 Q13464 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL18617523 0.85 NAMPT (0.57) NAMPTROCK2ROCK1ALDH1A1LMNA
SCHEMBL20672116 0.80 LMNA (0.54) NAMPTEPHX2NR1H4MEN1KMT2A
SCHEMBL2007932 0.79 EPHX2 (0.51) NAMPTROCK2EPHX2NR1H4MEN1
SCHEMBL20672115 0.78 GAA (0.62) ROCK2EPHX2NR1H4MEN1KMT2A
SCHEMBL20672114 0.77 EPHX2 (0.50) ROCK2EPHX2NR1H4MEN1KMT2A
SCHEMBL20671968 0.76 HPGDS (0.47) NAMPTEPHX2NR1H4MEN1KMT2A
SCHEMBL20671967 0.75 HDAC3 (0.53) ROCK2EPHX2NR1H4MEN1KMT2A
SCHEMBL20233602 0.74 NAMPT (0.48) NAMPTHDAC6
SCHEMBL15873800 0.74 L3MBTL1 (0.58) NAMPTROCK2EPHX2NR1H4MEN1
SCHEMBL17293023 0.73 NAMPT (0.51) NAMPTROCK2

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-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 US disclosed
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 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-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 NAMPT 1047/4885ROCK2 3068/4885EPHX2 28/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 NAMPT 1047/4885ROCK2 3068/4885EPHX2 28/4885

“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.