SCHEMBL12404530

SCHEMBL12404530

Cc1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)sc1C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 9/20 0.63
▸ AURKB Q96GD4 8/20 0.63
▸ TTK P33981 3/20 0.41
▸ FLT3 P36888 1/20 0.40
▸ NEK2 P51955 1/20 0.40
▸ PTK6 Q13882 2/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ MAPKAPK5 Q8IW41 4/20 0.38

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
SCHEMBL12404529 0.89 AURKA (0.61) AURKAAURKBTTKPTK6CHEK1
SCHEMBL14507430 0.88 AURKA (0.59) AURKAAURKBTTKPTK6CHEK1
SCHEMBL12404531 0.88 AURKA (0.59) AURKAAURKBTTKPTK6CHEK1
SCHEMBL15146142 0.85 AURKB (0.71) AURKAAURKBTTKFLT3PTK6
SCHEMBL14507416 0.84 AURKA (0.64) AURKAAURKBTTKPTK6CHEK1
SCHEMBL14537055 0.83 AURKB (0.65) AURKAAURKBTTKPTK6CHEK1
SCHEMBL12404633 0.83 AURKB (0.51) AURKAAURKBPTK6CHEK1
SCHEMBL12404532 0.82 AURKA (0.64) AURKAAURKBTTKFLT3PTK6
SCHEMBL12404535 0.82 AURKA (0.63) AURKAAURKBTTKPTK6CHEK1
SCHEMBL14536779 0.81 AURKB (0.44) AURKAAURKBPTK6CHEK1

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
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
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 AURKA 40/4885AURKB 27/4885TTK 68/4885
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A AURKA 41/4885AURKB 138/4885TTK 45/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 AURKA 5/4885AURKB 24/4885TTK 69/4885

“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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