SCHEMBL13859528

SCHEMBL13859528

N#CC(=CC1CC1)C(=O)Nc1cccc(Nc2nccc(Nc3ccccc3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 12/20 0.50
▸ SYK P43405 3/20 0.50
▸ LCK P06239 2/20 0.50
▸ IGF1R P08069 2/20 0.50
▸ EIF2AK2 P19525 1/20 0.50
▸ BMX P51813 1/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ ITK Q08881 2/20 0.48
▸ AURKB Q96GD4 3/20 0.47
▸ CHEK1 O14757 2/20 0.47
▸ PDPK1 O15530 2/20 0.47
▸ CHEK2 O96017 2/20 0.47
▸ PRKCG P05129 2/20 0.47
▸ CDK1 P06493 2/20 0.47
▸ PIM1 P11309 2/20 0.47
▸ FGFR1 P11362 2/20 0.47
▸ FGFR3 P22607 2/20 0.47
▸ RPS6KB1 P23443 2/20 0.47
▸ CDK2 P24941 2/20 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
SCHEMBL13859526 1.00 AURKA (0.50) AURKASYKLCKIGF1REIF2AK2
SCHEMBL13859348 0.88 ABL1 (0.52) PRKCGPRKCDSRCJAK3MAPK8
SCHEMBL13859349 0.88 ABL1 (0.52) PRKCGPRKCDSRCJAK3MAPK8
SCHEMBL13859328 0.88 EGFR (0.58) AURKAIGF1RAURKBJAK3MAPK8
SCHEMBL18559719 0.88 EGFR (0.58) AURKAIGF1RAURKBJAK3MAPK8
SCHEMBL13859327 0.88 EGFR (0.58) AURKAIGF1RAURKBJAK3MAPK8
SCHEMBL13859535 0.85 EGFR (0.47) JAK3PLK4EGFRRETMET
SCHEMBL13859536 0.85 EGFR (0.47) JAK3PLK4EGFRRETMET
SCHEMBL13859384 0.85 PLK4 (0.44) AURKASYKLCKIGF1REIF2AK2
SCHEMBL13859385 0.85 PLK4 (0.44) AURKASYKLCKIGF1REIF2AK2

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 AURKA 101/4885SYK 573/4885LCK 143/4885

“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.

Send feedback