SCHEMBL6046797

SCHEMBL6046797

Cc1[nH]nc2c1c(=O)n(C)c1ccc(C#CCN3CCCC3)cc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.51
KDR P35968 1/20 0.51
AURKB Q96GD4 1/20 0.51
CHEK1 O14757 8/20 0.43
LMNA P02545 1/20 0.41
KCNH2 Q12809 2/20 0.41
GRIN1 Q05586 3/20 0.41
MMP13 P45452 1/20 0.39
RIPK1 Q13546 2/20 0.37
GRIN2B Q13224 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6046717 0.89 CHEK1 (0.52) AURKAKDRAURKBCHEK1LMNA
SCHEMBL6046736 0.89 CHEK1 (0.49) AURKAKDRAURKBCHEK1LMNA
SCHEMBL6046827 0.88 CHEK1 (0.46) AURKAKDRAURKBCHEK1LMNA
SCHEMBL6046702 0.88 CHEK1 (0.48) AURKAKDRAURKBCHEK1LMNA
SCHEMBL6046715 0.87 CHEK1 (0.46) AURKAKDRAURKBCHEK1LMNA
SCHEMBL6046718 0.87 CHEK1 (0.43) AURKAKDRAURKBCHEK1LMNA
SCHEMBL6046810 0.86 CHEK1 (0.46) AURKAKDRAURKBCHEK1LMNA
SCHEMBL6046723 0.86 CHEK1 (0.50) AURKAKDRAURKBCHEK1LMNA
SCHEMBL6046815 0.86 CHEK1 (0.47) AURKAKDRAURKBCHEK1LMNA
SCHEMBL6515303 0.86 CHEK1 (0.62) AURKAKDRAURKBCHEK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060035920-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-02-16 US disclosed
WO-2005118583-A1 2, 5-DIHYDRO-PYRAZOLO`4, 3-C!QUINOLIN-4-ONES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-12-15 WO 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 (1 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-20060035920-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 AURKA 78/4885KDR 1094/4885AURKB 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.