SCHEMBL12404570

SCHEMBL12404570

Cc1cc(Nc2nc(CC3CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 4/20 0.40
▸ AURKA O14965 8/20 0.39
▸ AURKB Q96GD4 14/20 0.39
▸ SYK P43405 2/20 0.39
▸ PTK6 Q13882 3/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ LCK P06239 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL12404575 0.96 AURKB (0.42) CHEK1AURKAAURKBPTK6CCNA2
SCHEMBL14538467 0.91 CHEK1 (0.40) CHEK1AURKAAURKBSYKPTK6
SCHEMBL12404650 0.88 CHEK1 (0.45) CHEK1AURKAAURKBCCNA2CDK2
SCHEMBL14538390 0.88 CHEK1 (0.45) CHEK1AURKAAURKBCCNA2CDK2
SCHEMBL14536988 0.87 AURKB (0.42) CHEK1AURKAAURKBPTK6CCNA2
SCHEMBL12404632 0.83 AURKB (0.51) CHEK1AURKAAURKBPTK6LCK
SCHEMBL12473178 0.82 AURKA (0.41) CHEK1AURKAAURKBPTK6
SCHEMBL12404571 0.82 CHEK1 (0.59) CHEK1AURKAAURKBCCNA2CDK2
SCHEMBL12473155 0.78 CHEK1 (0.68) CHEK1AURKAAURKBPTK6LCK
SCHEMBL14507498 0.77 CHEK1 (0.60) CHEK1AURKAAURKBCCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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.

Send feedback