SCHEMBL13399936

SCHEMBL13399936

N#Cc1cnc2cn[nH]c2c1NCCc1ccc(NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 9/20 0.47
▸ CHEK1 O14757 3/20 0.46
▸ ROCK2 O75116 3/20 0.40
▸ ROCK1 Q13464 2/20 0.40
▸ AURKB Q96GD4 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ ADRB1 P08588 2/20 0.38
▸ ADRB3 P13945 2/20 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
SCHEMBL13399966 0.81 AURKA (0.49) AURKACHEK1
SCHEMBL13399957 0.81 AURKA (0.50) AURKACHEK1AURKBKDM4EGAA
SCHEMBL13399933 0.79 AURKA (0.46) AURKACHEK1AURKBKDM4EGAA
SCHEMBL13399927 0.79 AURKA (0.44) AURKACHEK1AURKB
SCHEMBL13399882 0.78 AURKA (0.66) AURKA
SCHEMBL13399885 0.78 AURKA (0.50) AURKACHEK1AURKBKDM4EGAA
SCHEMBL13399952 0.77 MAP2K1 (0.57) AURKACHEK1
SCHEMBL13399970 0.77 MAP2K1 (0.57) AURKAKDM4E
SCHEMBL13399888 0.77 CHEK1 (0.44) AURKACHEK1ROCK2AURKBKDM4E
SCHEMBL13399932 0.77 AURKA (0.43) AURKACHEK1AURKBKDM4EGAA

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 AURKA 2/4885CHEK1 112/4885ROCK2 166/4885

“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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