SCHEMBL19226502

SCHEMBL19226502

CC(C)(C)c1ccc(C(=O)N2CCC3(CCNC3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.64
GABRD O14764 2/20 0.61
GABRA1 P14867 2/20 0.61
GABRB1 P18505 2/20 0.61
GABRA5 P31644 2/20 0.61
GABRA3 P34903 2/20 0.61
GABRA2 P47869 2/20 0.61
GABRB2 P47870 2/20 0.61
GABRA4 P48169 2/20 0.61
L3MBTL3 Q96JM7 3/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALOX15 P16050 1/20 0.56
NAMPT P43490 1/20 0.48

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
SCHEMBL17886807 0.92 L3MBTL3 (0.61) HPGDGABRDGABRA1GABRB1GABRA5
SCHEMBL17886797 0.92 HPGD (0.61) HPGDGABRDGABRA1GABRB1GABRA5
SCHEMBL17886799 0.92 GABRD (0.72) HPGDGABRDGABRA1GABRB1GABRA5
SCHEMBL17886793 0.91 HPGD (0.65) HPGDGABRDGABRA1GABRB1GABRA5
SCHEMBL17886813 0.88 HPGD (0.58) HPGDGABRDGABRA1GABRB1GABRA5
SCHEMBL17886812 0.87 HPGD (0.64) HPGDGABRDGABRA1GABRB1GABRA5
SCHEMBL17886794 0.85 HPGD (0.58) HPGDGABRDGABRA1GABRB1GABRA5
SCHEMBL17886809 0.85 NAMPT (0.59) HPGDGABRDGABRA1GABRB1GABRA5
SCHEMBL16565827 0.85 GABRD (0.84) HPGDGABRDGABRA1GABRB1GABRA5
SCHEMBL17886789 0.82 HPGD (0.65) HPGDGABRDGABRA1GABRB1GABRA5

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
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-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-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 HPGD 994/4885GABRD 1304/4885GABRA1 1791/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 HPGD 994/4885GABRD 1304/4885GABRA1 1791/4885

“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.