SCHEMBL13859449

SCHEMBL13859449

N#CCC(=O)Nc1cccc(Nc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 12/20 0.77
▸ JAK2 O60674 12/20 0.77
▸ JAK1 P23458 8/20 0.77
▸ PLK4 O00444 3/20 0.63
▸ EGFR P00533 2/20 0.61
▸ TYK2 P29597 5/20 0.58
▸ AURKA O14965 2/20 0.56
▸ MAPK8 P45983 2/20 0.56
▸ IGF1R P08069 2/20 0.54
▸ AURKB Q96GD4 1/20 0.52
▸ BMPR1B O00238 1/20 0.51
▸ CIT O14578 1/20 0.51
▸ GAK O14976 1/20 0.51
▸ OPA1 O60313 1/20 0.51
▸ ROCK2 O75116 1/20 0.51
▸ STK16 O75716 1/20 0.51
▸ PRKD3 O94806 1/20 0.51
▸ CSNK2A2 P19784 1/20 0.51
▸ CDK2 P24941 1/20 0.51
▸ MARK3 P27448 1/20 0.51

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
SCHEMBL29813539 0.89 JAK2 (0.71) JAK3JAK2JAK1PLK4EGFR
SCHEMBL28876010 0.89 JAK2 (0.71) JAK3JAK2JAK1PLK4EGFR
SCHEMBL3622218 0.87 JAK2 (1.00) JAK3JAK2JAK1PLK4EGFR
SCHEMBL30051906 0.87 JAK2 (1.00) JAK3JAK2JAK1PLK4EGFR
SCHEMBL3698982 0.85 JAK2 (0.72) JAK3JAK2JAK1PLK4TYK2
SCHEMBL18559720 0.84 EGFR (0.62) JAK3JAK2JAK1PLK4EGFR
SCHEMBL16204478 0.84 EGFR (0.62) JAK3JAK2JAK1PLK4EGFR
SCHEMBL29813737 0.84 JAK3 (0.72) JAK3JAK2JAK1PLK4TYK2
SCHEMBL28875981 0.84 JAK3 (0.72) JAK3JAK2JAK1PLK4TYK2
SCHEMBL13977853 0.84 PLK4 (0.60) JAK3JAK2JAK1PLK4EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580427-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-28 — — US disclosed
US-20140323464-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-30 — — US disclosed
EP-2710007-A2 KINASE INHIBITORS The Regents of the University of California (US) 2014-03-26 — — EP disclosed
WO-2012158843-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-22 — — 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-20140323464-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 JAK3 286/4885JAK2 320/4885JAK1 215/4885

“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.

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