SCHEMBL16565652

SCHEMBL16565652

O=C(c1ccccc1)N1CCCC1c1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.60
SCD5 Q86SK9 5/20 0.53
HSD11B1 P28845 1/20 0.53
RIPK1 Q13546 2/20 0.52
HSP90AA1 P07900 1/20 0.52
HSP90AB1 P08238 1/20 0.52
ROCK2 O75116 1/20 0.50
PARP14 Q460N5 1/20 0.49
PARP10 Q53GL7 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ADAM17 P78536 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
SCHEMBL18085954 0.89 SCD (0.65) SCDSCD5RIPK1HSP90AA1HSP90AB1
SCHEMBL165005 0.88 SCD (0.55) SCDSCD5HSD11B1HSP90AA1HSP90AB1
SCHEMBL12459923 0.86 HSD11B1 (0.50) SCDHSD11B1ROCK2HSD17B10
SCHEMBL13212081 0.86 ROCK2 (0.55) SCDHSD11B1ROCK2HSD17B10
SCHEMBL8596155 0.85 PARP14 (0.62) SCDSCD5HSD11B1RIPK1HSP90AA1
SCHEMBL19226714 0.83 KMT2A (0.53) SCDHSD11B1ROCK2HSD17B10
SCHEMBL17886737 0.83 ROCK2 (0.49) SCDHSD11B1RIPK1ROCK2HSD17B10
SCHEMBL17888325 0.83 HSD11B1 (0.53) SCDHSD11B1RIPK1ROCK2HSD17B10
SCHEMBL169074 0.82 ROCK2 (0.58) SCDHSD11B1HSP90AA1HSP90AB1ROCK2
SCHEMBL3218965 0.80 SCD (0.52) SCDSCD5ROCK2ADAM17

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-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 US disclosed
WO-2015032286-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2015-03-12 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 (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-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 SCD 4693/4885SCD5 4044/4885HSD11B1 3719/4885

“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.