SCHEMBL9110464

SCHEMBL9110464

CN(c1nc2cc(NC(=O)OC(C)(C)C)ccn2n1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.40
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
BRD4 O60885 2/20 0.36
CREBBP Q92793 1/20 0.36
RORC P51449 5/20 0.36
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
LYN P07948 1/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
FRK P42685 1/20 0.35
BLK P51451 1/20 0.35
PTK6 Q13882 1/20 0.35
CYP17A1 P05093 2/20 0.35
EGLN2 Q96KS0 1/20 0.35
BCL2 P10415 1/20 0.35

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
SCHEMBL9108132 0.88 CA12 (0.40) DGAT1CA12CA1CA9BRD4
SCHEMBL9105963 0.87 CYP17A1 (0.40) DGAT1CA12CA1CA9BRD4
SCHEMBL9104422 0.84 MAPK14 (0.36) DGAT1CA12CA1CA9BRD4
SCHEMBL31422624 0.84 CA12 (0.38) DGAT1CA12CA1CA9BRD4
SCHEMBL30781533 0.81 ACSS2 (0.37) DGAT1CA12CA1CA9BRD4
SCHEMBL22162968 0.79 CA12 (0.44) DGAT1CA12CA1CA9BRD4
SCHEMBL9105837 0.78 CA12 (0.41) DGAT1CA12CA1CA9BRD4
SCHEMBL9118465 0.77 ADORA2A (0.41) DGAT1CA12CA1CA9CYP17A1
SCHEMBL9104904 0.77 SUV39H2 (0.40) DGAT1CA12CA1CA9BRD4
SCHEMBL9104899 0.76 ACHE (0.40) DGAT1CA12CA1CA9BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649070-B1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 EP disclosed
EP-2649070-B1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 EP disclosed
EP-2649070-A1 TRIAZOLOPYRIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-16 EP disclosed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
WO-2012076430-A1 TRIAZOLOPYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO disclosed
WO-2012076430-A1 TRIAZOLOPYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO disclosed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 US disclosed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 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 (1 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-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS PDE5A, PDE3A, PDE3B DGAT1 3204/4885CA12 4084/4885CA1 3439/4885

“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.