SCHEMBL17886809

SCHEMBL17886809

CC(C)(C)c1ccc(C(=O)N2CCC3(CCCNC3)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.59
L3MBTL3 Q96JM7 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
HPGD P15428 2/20 0.55
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALOX15 P16050 1/20 0.48
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL17886792 0.95 NAMPT (0.59) NAMPTL3MBTL3L3MBTL1HPGDALDH1A1
SCHEMBL17886797 0.93 HPGD (0.61) NAMPTL3MBTL3L3MBTL1HPGDALDH1A1
SCHEMBL17886807 0.93 L3MBTL3 (0.61) NAMPTL3MBTL3L3MBTL1HPGDALDH1A1
SCHEMBL17886790 0.91 NAMPT (0.56) NAMPTL3MBTL3L3MBTL1HPGDALDH1A1
SCHEMBL17886794 0.89 HPGD (0.58) NAMPTL3MBTL3L3MBTL1HPGDALDH1A1
SCHEMBL17888477 0.86 GABRD (0.64) NAMPTL3MBTL3L3MBTL1ALDH1A1HSD17B10
SCHEMBL17886812 0.85 HPGD (0.64) NAMPTL3MBTL3L3MBTL1HPGDALDH1A1
SCHEMBL19226502 0.85 HPGD (0.64) NAMPTL3MBTL3L3MBTL1HPGDALDH1A1
SCHEMBL17886813 0.84 HPGD (0.58) NAMPTL3MBTL3L3MBTL1HPGDALDH1A1
SCHEMBL6631344 0.84 HSD17B10 (0.67) NAMPTL3MBTL3L3MBTL1HPGDALDH1A1

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-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 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
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 (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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 NAMPT 1885/4885L3MBTL3 4841/4885L3MBTL1 4850/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 NAMPT 1885/4885L3MBTL3 4841/4885L3MBTL1 4850/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 NAMPT 1885/4885L3MBTL3 4841/4885L3MBTL1 4850/4885

“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.