SCHEMBL13399916

SCHEMBL13399916

N#Cc1cnc2sc3c(c2c1NCCc1cnc(NC(=O)Nc2ccccc2)s1)CCCC3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 11/20 0.48
▸ AURKB Q96GD4 5/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ KDR P35968 4/20 0.41
▸ PDGFRB P09619 3/20 0.41
▸ KIT P10721 3/20 0.41
▸ SRC P12931 2/20 0.41
▸ FLT1 P17948 2/20 0.41
▸ FLT4 P35916 2/20 0.41
▸ RAF1 P04049 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ CCNE1 P24864 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CDK5 Q00535 2/20 0.39
▸ PLK4 O00444 1/20 0.38
▸ ACOX3 O15254 1/20 0.38
▸ MAPK13 O15264 1/20 0.38
▸ DYRK3 O43781 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ CHEK2 O96017 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
SCHEMBL13399918 0.87 AURKA (0.48) AURKAAURKBPTGS2KDRPDGFRB
SCHEMBL13399926 0.82 EGFR (0.43) AURKAAURKBEGFRNTRK3NTRK2
SCHEMBL13399924 0.82 AURKA (0.45) AURKAAURKBEGFRNTRK3NTRK2
SCHEMBL13399913 0.82 AURKA (0.48) AURKAAURKBKDRPDGFRBKIT
SCHEMBL13430250 0.80 PTGS2 (0.44) PTGS2KDRPDGFRBKITSRC
SCHEMBL13399912 0.77 AURKA (0.52) AURKAAURKB
SCHEMBL13399921 0.76 AURKA (0.54) AURKAAURKBKDRPDGFRBKIT
SCHEMBL13427437 0.75 AURKA (0.47) AURKAAURKBKDRPDGFRBKIT
SCHEMBL13399907 0.75 AURKA (0.51) AURKAAURKBKDRPDGFRBKIT
SCHEMBL13399968 0.74 AURKA (0.70) AURKAAURKBRAF1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006252-B2 Fused multicyclic compounds as protein kinase inhibitors NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2015-04-14 — — US disclosed
US-9006252-B2 Fused multicyclic compounds as protein kinase inhibitors NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2015-04-14 — — US disclosed
EP-2331530-B1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NAT HEALTH RESEARCH INSTITUTES (CN) 2013-08-21 — — EP disclosed
US-20100081675-A1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-04-01 — — US disclosed
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 3/4885PTGS2 4394/4885

“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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