SCHEMBL13494356

SCHEMBL13494356

Cc1ccc(C(=O)N2CCC3(CCNC3)C2)cc1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRD O14764 2/20 0.75
GABRA1 P14867 2/20 0.75
GABRB1 P18505 2/20 0.75
GABRA5 P31644 2/20 0.75
GABRA3 P34903 2/20 0.75
GABRA2 P47869 2/20 0.75
GABRB2 P47870 2/20 0.75
GABRA4 P48169 2/20 0.75
KDM1A O60341 2/20 0.67
L3MBTL3 Q96JM7 3/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
NAMPT P43490 6/20 0.60
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL17888477 0.92 GABRD (0.64) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL16565827 0.92 GABRD (0.84) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL16565828 0.92 GABRD (0.84) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL17888390 0.90 GABRD (0.68) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL17888389 0.90 GABRD (0.68) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL17888322 0.87 NAMPT (0.62) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL14742135 0.86 NAMPT (0.66) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL17888421 0.86 GABRD (1.00) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL17886807 0.86 L3MBTL3 (0.61) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL19226555 0.86 L3MBTL3 (0.61) GABRDGABRA1GABRB1GABRA5GABRA3

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 4 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
WO-2010012747-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 WO 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 GABRD 1304/4885GABRA1 1791/4885GABRB1 1612/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 GABRD 1304/4885GABRA1 1791/4885GABRB1 1612/4885

“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.