SCHEMBL12473151

SCHEMBL12473151

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 3/20 1.00
▸ CHEK1 O14757 2/20 0.80
▸ KDR P35968 2/20 0.80
▸ RPS6KA3 P51812 2/20 0.80
▸ IRAK4 Q9NWZ3 2/20 0.80
▸ EGFR P00533 1/20 0.80
▸ CDK2 P24941 1/20 0.80
▸ CSNK1D P48730 1/20 0.80
▸ PLK3 Q9H4B4 1/20 0.80
▸ AURKB Q96GD4 16/20 0.79
▸ AURKA O14965 9/20 0.79
▸ PTK6 Q13882 2/20 0.73

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
SCHEMBL14507168 0.92 LCK (0.85) LCKCHEK1KDRRPS6KA3IRAK4
SCHEMBL14537097 0.91 LCK (0.83) LCKCHEK1KDRRPS6KA3IRAK4
SCHEMBL14536750 0.91 LCK (0.83) LCKCHEK1KDRRPS6KA3IRAK4
SCHEMBL13154943 0.89 LCK (1.00) LCKCHEK1KDRRPS6KA3IRAK4
SCHEMBL12473560 0.89 AURKB (0.81) LCKCHEK1KDRRPS6KA3IRAK4
SCHEMBL13954597 0.89 LCK (0.80) LCKCHEK1KDRRPS6KA3IRAK4
SCHEMBL14507452 0.88 AURKB (1.00) LCKCHEK1KDRRPS6KA3IRAK4
SCHEMBL13155437 0.88 LCK (0.79) LCKCHEK1KDRRPS6KA3IRAK4
SCHEMBL13155431 0.87 AURKB (0.79) LCKCHEK1KDRRPS6KA3IRAK4
SCHEMBL13155395 0.87 LCK (0.77) LCKCHEK1KDRRPS6KA3IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217611-B1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2013-07-31 — — EP disclosed
US-20110183933-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS MERCK SHARP & DOHME LLC 2011-07-28 — — 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-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-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
WO-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 — — WO 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-20110183933-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS CDC25C, CHEK1, CDC25A LCK 179/4885CHEK1 2/4885KDR 1409/4885
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT AURKC, AURKA, AURKB LCK 732/4885CHEK1 61/4885KDR 4451/4885
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A LCK 15/4885CHEK1 1/4885KDR 1998/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 LCK 88/4885CHEK1 27/4885KDR 2094/4885

“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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