SCHEMBL6518613

SCHEMBL6518613

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.52
KDR P35968 1/20 0.52
AURKB Q96GD4 1/20 0.52
CHEK1 O14757 4/20 0.47
CNR2 P34972 3/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNH2 Q12809 1/20 0.40
BRD4 O60885 1/20 0.40
PLK1 P53350 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 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
SCHEMBL6508848 0.88 AURKA (0.54) AURKAKDRAURKBCHEK1CNR2
SCHEMBL6517711 0.87 CHEK1 (0.55) AURKAKDRAURKBCHEK1CNR2
SCHEMBL6510076 0.87 AURKA (0.57) AURKAKDRAURKBCHEK1CNR2
SCHEMBL6508702 0.86 CHEK1 (0.56) AURKAKDRAURKBCHEK1CNR2
SCHEMBL6518967 0.85 CHEK1 (0.51) AURKAKDRAURKBCHEK1CNR2
SCHEMBL6512770 0.85 AURKA (0.50) AURKAKDRAURKBCHEK1MAPT
SCHEMBL6519862 0.84 AURKA (0.44) AURKAKDRAURKBCHEK1CNR2
SCHEMBL6522416 0.84 MAPT (0.49) AURKAKDRAURKBCHEK1MAPT
SCHEMBL6519574 0.83 CHEK1 (0.47) AURKAKDRAURKBCHEK1CNR2
SCHEMBL6515406 0.83 KDR (0.52) AURKAKDRAURKBCHEK1MAPT

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.