SCHEMBL13399888

SCHEMBL13399888

N#Cc1cnc2[nH]c(-c3ccccc3)nc2c1NCCc1ccc(NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 3/20 0.44
▸ AURKA O14965 8/20 0.43
▸ EP300 Q09472 1/20 0.41
▸ AURKB Q96GD4 2/20 0.41
▸ CDK1 P06493 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ CNR1 P21554 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ HPSE Q9Y251 2/20 0.38
▸ ROCK2 O75116 1/20 0.37

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
SCHEMBL13399889 0.87 AURKA (0.52) CHEK1AURKAEP300AURKB
SCHEMBL13399893 0.82 CHEK1 (0.44) CHEK1AURKAAURKBCDK1KDR
SCHEMBL13399892 0.81 AURKA (0.47) CHEK1AURKAAURKB
SCHEMBL13399877 0.81 AURKA (0.47) AURKAAURKBKDRCNR1KDM4E
SCHEMBL13399927 0.80 AURKA (0.44) CHEK1AURKAAURKBCDK1KDR
SCHEMBL13399847 0.79 AURKA (0.60) AURKAAURKB
SCHEMBL13399936 0.77 AURKA (0.47) CHEK1AURKAAURKBKDM4EGAA
SCHEMBL13399911 0.76 PRKCQ (0.56) CHEK1AURKA
SCHEMBL13399901 0.76 AURKA (0.55) AURKAAURKB
SCHEMBL13399908 0.76 AURKA (0.66) CHEK1AURKAAURKB

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 2/4885EP300 1665/4885

“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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