SCHEMBL19220944

SCHEMBL19220944

CN1CC=C(c2cccn3nc(N)nc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.49
NUDT1 P36639 1/20 0.47
JAK1 P23458 3/20 0.43
JAK3 P52333 2/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
QDPR P09417 1/20 0.41

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
SCHEMBL16553643 0.77 PDK4 (0.54) JAK2JAK1
SCHEMBL12079212 0.77 JAK2 (0.52) JAK2NUDT1JAK1JAK3
SCHEMBL16554303 0.75 JAK2 (0.50) JAK2NUDT1JAK1JAK3DRD2
Hydrochloric Acid SCHEMBL16553729 0.75 JAK2 (0.50) JAK2NUDT1JAK1JAK3DRD2
SCHEMBL2252811 0.75 JAK2 (0.50) JAK2NUDT1JAK1JAK3
SCHEMBL16553842 0.73 JAK1 (0.70) JAK2JAK1
SCHEMBL4159466 0.71 KDM4E (0.54) DRD2DRD4QDPR
SCHEMBL2270706 0.71 JAK2 (0.50) JAK2NUDT1JAK1JAK3
SCHEMBL24090152 0.69 NUDT1 (0.60) JAK2NUDT1JAK1JAK3
SCHEMBL18367046 0.68 JAK2 (0.77) JAK2NUDT1JAK1JAK3

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-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 (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-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 JAK2 2/4885NUDT1 1067/4885JAK1 3/4885

“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.