SCHEMBL12473405

SCHEMBL12473405

Cc1cc(Nc2nc(C(=O)NC3CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sn1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 3/20 0.56
▸ AURKA O14965 14/20 0.55
▸ AURKB Q96GD4 14/20 0.55
▸ CDK2 P24941 2/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ CCNA1 P78396 1/20 0.47
▸ LCK P06239 2/20 0.46
▸ EGFR P00533 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ CSNK1D P48730 1/20 0.43
▸ RPS6KA3 P51812 1/20 0.43
▸ PLK3 Q9H4B4 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ PTK6 Q13882 1/20 0.42

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
SCHEMBL13845550 0.89 AURKB (0.68) CHEK1AURKAAURKBCDK2LCK
SCHEMBL8246082 0.82 CHEK1 (0.64) CHEK1AURKAAURKBCDK2CCNA2
SCHEMBL14529991 0.82 CHEK1 (0.64) CHEK1AURKAAURKBCDK2CCNA2
SCHEMBL14507515 0.82 AURKB (0.53) CHEK1AURKAAURKBLCKKDR
SCHEMBL14537045 0.81 AURKA (0.66) CHEK1AURKAAURKBCDK2LCK
SCHEMBL12404571 0.80 CHEK1 (0.59) CHEK1AURKAAURKBCDK2CCNA2
SCHEMBL8239888 0.77 AURKA (0.70) CHEK1AURKAAURKBCDK2CCNA2
SCHEMBL12404504 0.77 CHEK1 (0.74) CHEK1AURKAAURKBCDK2LCK
SCHEMBL14507498 0.77 CHEK1 (0.60) CHEK1AURKAAURKBCDK2CCNA2
SCHEMBL13155374 0.77 CHEK1 (0.60) CHEK1AURKAAURKBCDK2CCNA2

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 6 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-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 (3 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 2/4885AURKA 40/4885AURKB 27/4885
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A CHEK1 1/4885AURKA 41/4885AURKB 138/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 CHEK1 27/4885AURKA 5/4885AURKB 24/4885

“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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