SCHEMBL12588164

SCHEMBL12588164

CN(C)CCSCc1cc(Nc2nccn3c(-c4cn[nH]c4)cnc23)sn1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 19/20 0.58
▸ AURKA O14965 4/20 0.58
▸ CHEK1 O14757 3/20 0.51
▸ RPS6KA3 P51812 3/20 0.51
▸ FLT3 P36888 2/20 0.51
▸ EPHB4 P54760 2/20 0.51
▸ LCK P06239 3/20 0.50
▸ KDR P35968 1/20 0.49
▸ PTK6 Q13882 1/20 0.49
▸ IRAK4 Q9NWZ3 1/20 0.49

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
SCHEMBL13954842 0.89 AURKB (0.56) AURKBAURKACHEK1RPS6KA3FLT3
SCHEMBL12588167 0.84 AURKB (0.52) AURKBAURKACHEK1RPS6KA3FLT3
SCHEMBL14538361 0.82 AURKB (0.59) AURKBAURKACHEK1RPS6KA3FLT3
SCHEMBL13155537 0.79 AURKB (0.58) AURKBAURKACHEK1RPS6KA3FLT3
SCHEMBL12473048 0.79 LCK (0.74) AURKBAURKACHEK1RPS6KA3LCK
SCHEMBL13155517 0.78 AURKB (0.74) AURKBAURKACHEK1RPS6KA3LCK
SCHEMBL13155538 0.78 AURKB (0.56) AURKBAURKACHEK1RPS6KA3FLT3
SCHEMBL13155502 0.78 AURKB (0.74) AURKBAURKACHEK1RPS6KA3LCK
SCHEMBL13155507 0.78 AURKB (0.74) AURKBAURKACHEK1RPS6KA3LCK
SCHEMBL13155516 0.78 AURKB (0.74) AURKBAURKACHEK1RPS6KA3LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110129456-A1 Sequential Administration of Chemotherapeutic Agents for Treatment of Cancer MERCK SHARP & DOHME CORP. 2011-06-02 — — US disclosed
US-20110129456-A1 Sequential Administration of Chemotherapeutic Agents for Treatment of Cancer MERCK SHARP & DOHME CORP. 2011-06-02 — — US disclosed
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-2009137378-A2 SEQUENTIAL ADMINISTRATION OF CHEMOTHERAPEUTIC AGENTS FOR TREATMENT OF CANCER SCHERING CORPORATION (US) 2009-11-12 — — WO 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 (2 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 AURKB 3/4885AURKA 2/4885CHEK1 61/4885
US-20110129456-A1 Sequential Administration of Chemotherapeutic Agents for Treatment of Cancer IGF1R, IGFBP2, EGFR AURKB 421/4885AURKA 763/4885CHEK1 36/4885

“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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