SCHEMBL6507422

SCHEMBL6507422

Cc1[nH]nc2c1c(=O)n(CC(N)=O)c1ccccc21

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.61
KDR P35968 1/20 0.61
AURKB Q96GD4 1/20 0.61
CHEK1 O14757 11/20 0.50
AKR1B10 O60218 2/20 0.46
AKR1B1 P15121 2/20 0.46
LMNA P02545 1/20 0.43
KCNH2 Q12809 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL6507576 0.88 AURKA (0.62) AURKAKDRAURKBCHEK1AKR1B10
SCHEMBL6507426 0.82 CHEK1 (0.71) AURKAKDRAURKBCHEK1AKR1B10
SCHEMBL6507581 0.81 CHEK1 (0.72) AURKAKDRAURKBCHEK1LMNA
SCHEMBL6523086 0.80 AURKA (0.57) AURKAKDRAURKBCHEK1AKR1B10
SCHEMBL6506848 0.79 AURKA (0.59) AURKAKDRAURKBCHEK1AKR1B10
SCHEMBL6510076 0.78 AURKA (0.57) AURKAKDRAURKBCHEK1AKR1B10
SCHEMBL6508848 0.77 AURKA (0.54) AURKAKDRAURKBCHEK1AKR1B10
SCHEMBL6517711 0.77 CHEK1 (0.55) AURKAKDRAURKBCHEK1KCNH2
SCHEMBL6522349 0.76 AURKA (0.62) AURKAKDRAURKBCHEK1LMNA
SCHEMBL6508702 0.75 CHEK1 (0.56) AURKAKDRAURKBCHEK1KCNH2

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-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 US disclosed
WO-2005028474-A2 PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-03-31 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-20050245563-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.