SCHEMBL16285253

SCHEMBL16285253

CN1CCN(c2ccc(Nc3nc4c(Oc5cccc([N+](=O)[O-])c5)cccn4n3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.61
PTK2 Q05397 18/20 0.61
JAK3 P52333 17/20 0.61
BTK Q06187 1/20 0.53
JAK1 P23458 1/20 0.53
BRD4 O60885 1/20 0.52

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
SCHEMBL16280028 0.85 JAK2 (0.63) JAK2PTK2JAK3BTK
SCHEMBL17873950 0.82 JAK2 (0.57) JAK2PTK2JAK3BTKJAK1
SCHEMBL15173576 0.81 JAK3 (0.79) JAK2PTK2JAK3BTKJAK1
SCHEMBL17842598 0.81 JAK3 (0.63) JAK2PTK2JAK3BTKJAK1
SCHEMBL23422002 0.80 JAK2 (0.57) JAK2PTK2JAK3BTKBRD4
SCHEMBL16370940 0.77 EGFR (0.71) JAK2JAK3BRD4
SCHEMBL15453508 0.77 EGFR (0.50) JAK2PTK2JAK3BTKJAK1
SCHEMBL2044932 0.76 EGFR (0.71) JAK2PTK2JAK3BTK
SCHEMBL2640382 0.76 JAK2 (1.00) JAK2PTK2JAK3JAK1
SCHEMBL9995228 0.76 EGFR (0.67) JAK2PTK2JAK3BTKBRD4

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-20140364438-A1 TRIAZOLOPYRIDINE DERIVATIVES AS A TYROSINE KINASE INHIBITOR HANMI PHARM. CO., LTD. (KR) 2014-12-11 US disclosed
US-20140364438-A1 TRIAZOLOPYRIDINE DERIVATIVES AS A TYROSINE KINASE INHIBITOR HANMI PHARM. CO., LTD. (KR) 2014-12-11 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-20140364438-A1 TRIAZOLOPYRIDINE DERIVATIVES AS A TYROSINE KINASE INHIBITOR LCK, TYK2, LTK JAK2 40/4885PTK2 151/4885JAK3 59/4885

“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.