SCHEMBL13153248

SCHEMBL13153248

CCCN(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)C(C)(C)CO

nearest known ligand 0.89

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 5/20 0.89
▸ RPS6KA3 P51812 4/20 0.89
▸ IRAK4 Q9NWZ3 3/20 0.89
▸ AURKB Q96GD4 18/20 0.87
▸ FLT3 P36888 3/20 0.87
▸ EPHB4 P54760 3/20 0.87
▸ LCK P06239 3/20 0.63
▸ KDR P35968 1/20 0.61
▸ PTK6 Q13882 1/20 0.61
▸ AURKA O14965 1/20 0.61

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
SCHEMBL13153153 0.94 CHEK1 (1.00) CHEK1RPS6KA3IRAK4AURKBFLT3
SCHEMBL12588184 0.94 CHEK1 (0.78) CHEK1RPS6KA3IRAK4AURKBFLT3
SCHEMBL13617843 0.90 AURKB (1.00) CHEK1RPS6KA3IRAK4AURKBFLT3
SCHEMBL12588180 0.88 CHEK1 (0.88) CHEK1RPS6KA3IRAK4AURKBFLT3
SCHEMBL13155484 0.88 CHEK1 (0.85) CHEK1RPS6KA3IRAK4AURKBFLT3
SCHEMBL13155431 0.85 AURKB (0.79) CHEK1RPS6KA3IRAK4AURKBFLT3
SCHEMBL13983735 0.84 CHEK1 (0.82) CHEK1RPS6KA3IRAK4AURKBFLT3
SCHEMBL13155483 0.84 CHEK1 (0.75) CHEK1RPS6KA3IRAK4AURKBFLT3
SCHEMBL12588157 0.84 AURKB (0.89) CHEK1RPS6KA3IRAK4AURKBFLT3
SCHEMBL13983916 0.84 AURKB (0.74) CHEK1RPS6KA3IRAK4AURKBFLT3

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
WO-2010124009-A2 FULLY HUMAN ANTI-VEGF ANTIBODIES AND METHODS OF USING SCHERING CORPORATION (US) 2010-10-28 — — WO disclosed
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION 2010-09-30 — — US disclosed
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION 2010-09-30 — — US disclosed
WO-2009017701-A2 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION (US) 2009-02-05 — — WO disclosed
WO-2008156614-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-12-24 — — WO 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-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT AURKC, AURKA, AURKB CHEK1 61/4885RPS6KA3 1157/4885IRAK4 2539/4885

“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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