SCHEMBL12473572

SCHEMBL12473572

CC(C)c1cc(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sn1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 4/20 0.81
▸ AURKB Q96GD4 15/20 0.61
▸ AURKA O14965 14/20 0.61
▸ LCK P06239 4/20 0.41
▸ IRAK4 Q9NWZ3 3/20 0.41
▸ KDR P35968 2/20 0.41
▸ RPS6KA3 P51812 2/20 0.41
▸ PTK6 Q13882 1/20 0.39
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ EPHB4 P54760 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ PLK3 Q9H4B4 1/20 0.37

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
SCHEMBL8241428 0.90 CHEK1 (1.00) CHEK1AURKBAURKALCKIRAK4
SCHEMBL13955026 0.88 CHEK1 (0.63) CHEK1AURKBAURKALCKIRAK4
SCHEMBL12473563 0.87 CHEK1 (0.81) CHEK1AURKBAURKALCKIRAK4
SCHEMBL14507696 0.85 CHEK1 (0.77) CHEK1AURKBAURKALCKIRAK4
SCHEMBL14538629 0.84 CHEK1 (0.66) CHEK1AURKBAURKALCKPTK6
SCHEMBL12473567 0.83 CHEK1 (0.77) CHEK1AURKBAURKALCKIRAK4
SCHEMBL14507674 0.83 CHEK1 (0.67) CHEK1AURKBAURKAPTK6
SCHEMBL12473340 0.82 CHEK1 (0.71) CHEK1AURKBAURKALCKIRAK4
SCHEMBL14507562 0.82 CHEK1 (0.75) CHEK1AURKBAURKALCKPTK6
SCHEMBL12473570 0.82 CHEK1 (0.68) CHEK1AURKBAURKALCKIRAK4

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-2009061781-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS SCHERING CORPORATION (US) 2009-05-14 — — 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 CHEK1 2/4885AURKB 27/4885AURKA 40/4885
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT AURKC, AURKA, AURKB CHEK1 61/4885AURKB 3/4885AURKA 2/4885
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A CHEK1 1/4885AURKB 138/4885AURKA 41/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 CHEK1 27/4885AURKB 24/4885AURKA 5/4885

“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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