SCHEMBL13399893

SCHEMBL13399893

N#Cc1cnc2sc(-c3ccccc3)nc2c1NCCc1ccc(NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.44
▸ AURKA O14965 7/20 0.43
▸ ADORA3 P0DMS8 3/20 0.41
▸ ADORA2A P29274 3/20 0.41
▸ ADORA1 P30542 3/20 0.41
▸ ADORA2B P29275 2/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ KDR P35968 2/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ PRKCQ Q04759 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ IMPDH2 P12268 1/20 0.38
▸ LYN P07948 1/20 0.38
▸ PRKCD Q05655 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
SCHEMBL13399899 0.87 AURKA (0.52) CHEK1AURKAAURKBKDR
SCHEMBL13399911 0.84 PRKCQ (0.56) CHEK1AURKAPRKCQIMPDH2LYN
SCHEMBL13399888 0.82 CHEK1 (0.44) CHEK1AURKAAURKBKDRCDK1
SCHEMBL13399914 0.81 AURKA (0.47) CHEK1AURKAAURKBCNR1
SCHEMBL13399892 0.81 AURKA (0.47) CHEK1AURKAAURKB
SCHEMBL13399876 0.80 AURKA (0.47) AURKAADORA3ADORA2AADORA1ADORA2B
SCHEMBL13399828 0.79 AURKA (0.60) AURKAAURKBKDR
SCHEMBL13399905 0.78 AURKA (0.56) AURKAAURKB
SCHEMBL13399957 0.77 AURKA (0.50) CHEK1AURKAAURKBKDRRAB9A
SCHEMBL13399927 0.76 AURKA (0.44) CHEK1AURKAAURKBKDRCDK1

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-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
WO-2010036629-A2 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-04-01 — — WO 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 CHEK1 112/4885AURKA 2/4885ADORA3 3877/4885

“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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