SCHEMBL13427437

SCHEMBL13427437

N#Cc1cnc2c(c1NCCc1cnc(NC(=O)Nc3ccccc3)s1)SC(c1ccccc1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 17/20 0.47
▸ AURKB Q96GD4 8/20 0.46
▸ CCNE1 P24864 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CDK5 Q00535 2/20 0.39
▸ NTRK2 Q16620 2/20 0.38
▸ DDR2 Q16832 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ ACOX3 O15254 1/20 0.38
▸ MAPK13 O15264 1/20 0.38
▸ DYRK3 O43781 1/20 0.38

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
SCHEMBL13399907 0.76 AURKA (0.51) AURKAAURKBCCNE1CDK2CDK5
SCHEMBL13399921 0.76 AURKA (0.54) AURKAAURKBNTRK2DDR2PLK4
SCHEMBL13399918 0.75 AURKA (0.48) AURKAAURKBCCNE1CDK2CDK5
SCHEMBL13399916 0.75 AURKA (0.48) AURKAAURKBCCNE1CDK2CDK5
SCHEMBL13399968 0.74 AURKA (0.70) AURKAAURKBCSF1RRAF1
SCHEMBL13399912 0.74 AURKA (0.52) AURKAAURKB
SCHEMBL13399913 0.74 AURKA (0.48) AURKAAURKBCCNE1CDK2CDK5
SCHEMBL13399890 0.69 AURKA (0.57) AURKAAURKBCCNE1CDK2CDK5
SCHEMBL13399895 0.69 AURKA (0.73) AURKAAURKBNTRK2MAPTNTRK3
SCHEMBL13399900 0.69 AURKA (0.61) AURKAAURKBNTRK2DDR2PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081675-A1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-04-01 — — 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-20100081675-A1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS AURKC, AURKA, AURKB AURKA 2/4885AURKB 3/4885CCNE1 183/4885

“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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