SCHEMBL12090232

SCHEMBL12090232

COc1ccc(-c2cccn3nc(Nc4ccc(C(=O)CO)cc4)nc23)cn1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.65
JAK3 P52333 9/20 0.65
PTK2 Q05397 9/20 0.65
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 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
SCHEMBL3230482 0.90 JAK2 (0.68) JAK2JAK3PTK2
SCHEMBL3228110 0.90 JAK2 (0.77) JAK2JAK3PTK2
SCHEMBL13577856 0.87 JAK2 (0.65) JAK2JAK3PTK2
SCHEMBL12090040 0.86 JAK2 (0.59) JAK2JAK3PTK2
SCHEMBL12090036 0.86 JAK2 (0.59) JAK2JAK3PTK2
SCHEMBL15416764 0.85 JAK2 (0.72) JAK2JAK3PTK2PSEN1PSEN2
SCHEMBL12090239 0.82 JAK2 (0.62) JAK2JAK3PTK2
SCHEMBL15459914 0.82 JAK2 (0.65) JAK2JAK3PTK2
SCHEMBL12090167 0.81 JAK2 (0.59) JAK2JAK3PTK2
SCHEMBL15459887 0.79 JAK2 (0.56) JAK2JAK3PTK2

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-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-11-17 US disclosed
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-02-06 US disclosed
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-09-06 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 (3 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-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 JAK2 2/4885JAK3 3/4885PTK2 386/4885
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885PTK2 312/4885
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885PTK2 312/4885

“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.