SCHEMBL13859328

SCHEMBL13859328

N#CC(=CC1CC1)C(=O)Nc1cccc(Nc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.58
▸ PLK4 O00444 1/20 0.56
▸ JAK2 O60674 8/20 0.55
▸ JAK3 P52333 6/20 0.55
▸ JAK1 P23458 3/20 0.53
▸ AURKA O14965 2/20 0.51
▸ MAPK8 P45983 1/20 0.51
▸ TYK2 P29597 2/20 0.51
▸ IGF1R P08069 4/20 0.49
▸ AURKB Q96GD4 1/20 0.47
▸ BTK Q06187 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
SCHEMBL18559719 1.00 EGFR (0.58) EGFRPLK4JAK2JAK3JAK1
SCHEMBL13859327 1.00 EGFR (0.58) EGFRPLK4JAK2JAK3JAK1
SCHEMBL18559720 0.91 EGFR (0.62) EGFRPLK4JAK2JAK3JAK1
SCHEMBL16204478 0.91 EGFR (0.62) EGFRPLK4JAK2JAK3JAK1
SCHEMBL13859528 0.88 AURKA (0.50) EGFRPLK4JAK2JAK3AURKA
SCHEMBL13859526 0.88 AURKA (0.50) EGFRPLK4JAK2JAK3AURKA
SCHEMBL13977853 0.84 PLK4 (0.60) EGFRPLK4JAK2JAK3JAK1
SCHEMBL13859449 0.81 JAK3 (0.77) EGFRPLK4JAK2JAK3JAK1
SCHEMBL13859349 0.77 ABL1 (0.52) JAK2JAK3MAPK8
SCHEMBL13859348 0.77 ABL1 (0.52) JAK2JAK3MAPK8

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 6 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-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
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 EGFR 432/4885PLK4 313/4885JAK2 320/4885

“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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