SCHEMBL13155357

SCHEMBL13155357

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 15/20 1.00
▸ AURKA O14965 13/20 1.00
▸ LCK P06239 2/20 0.81
▸ CHEK1 O14757 1/20 0.81
▸ EGFR P00533 1/20 0.81
▸ CDK2 P24941 1/20 0.81
▸ KDR P35968 1/20 0.81
▸ CSNK1D P48730 1/20 0.81
▸ RPS6KA3 P51812 1/20 0.81
▸ PLK3 Q9H4B4 1/20 0.81
▸ IRAK4 Q9NWZ3 1/20 0.81
▸ PTK6 Q13882 2/20 0.70

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
SCHEMBL13154943 0.90 LCK (1.00) AURKBAURKALCKCHEK1EGFR
SCHEMBL13154944 0.87 AURKB (1.00) AURKBAURKALCKCHEK1EGFR
SCHEMBL13154947 0.87 LCK (0.81) AURKBAURKALCKCHEK1EGFR
SCHEMBL12473151 0.86 LCK (1.00) AURKBAURKALCKCHEK1EGFR
SCHEMBL13155408 0.86 LCK (0.79) AURKBAURKALCKCHEK1EGFR
SCHEMBL13154952 0.85 AURKB (0.82) AURKBAURKALCKCHEK1EGFR
SCHEMBL13154956 0.85 LCK (0.77) AURKBAURKALCKCHEK1EGFR
SCHEMBL13154942 0.85 AURKB (0.84) AURKBAURKALCKCHEK1EGFR
SCHEMBL14507168 0.85 LCK (0.85) AURKBAURKALCKCHEK1EGFR
SCHEMBL13155360 0.84 AURKB (0.86) AURKBAURKALCKCHEK1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7511040-B2 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-03-31 — — US disclosed
US-7511040-B2 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-03-31 — — 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
US-20080139571-A1 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION 2008-06-12 — — US disclosed
US-20080139571-A1 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION 2008-06-12 — — US disclosed
WO-2008057512-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-05-15 — — WO disclosed
WO-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 — — US disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 — — US disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 — — US disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 — — 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 (4 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 2/4885LCK 732/4885
US-20080139571-A1 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS AURKC, AURKA, AURKB AURKB 3/4885AURKA 2/4885LCK 110/4885
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A AURKB 138/4885AURKA 41/4885LCK 15/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 AURKB 24/4885AURKA 5/4885LCK 88/4885

“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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