SCHEMBL6519853

SCHEMBL6519853

Cc1[nH]nc2c1c(=O)n(CCCNC(=O)[C@@H](N)Cc1c[nH]cn1)c1ccccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.44
KDR P35968 1/20 0.44
AURKB Q96GD4 1/20 0.44
CHEK1 O14757 5/20 0.43
KCNH2 Q12809 1/20 0.37
IDE P14735 1/20 0.36
PLK1 P53350 2/20 0.35
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL6518300 0.85 AURKA (0.45) AURKAKDRAURKBCHEK1
SCHEMBL6509375 0.85 AURKA (0.45) AURKAKDRAURKBCHEK1KCNH2
SCHEMBL6512223 0.85 CHEK1 (0.51) AURKAKDRAURKBCHEK1KDM4E
SCHEMBL6514590 0.83 AURKA (0.46) AURKAKDRAURKBCHEK1KCNH2
SCHEMBL6519572 0.83 CHEK1 (0.47) AURKAKDRAURKBCHEK1KCNH2
SCHEMBL6519862 0.82 AURKA (0.44) AURKAKDRAURKBCHEK1KCNH2
SCHEMBL6520896 0.82 REN (0.42) AURKAKDRAURKBCHEK1
SCHEMBL6518416 0.81 CHEK1 (0.47) AURKAKDRAURKBCHEK1KCNH2
SCHEMBL6510076 0.80 AURKA (0.57) AURKAKDRAURKBCHEK1KCNH2
SCHEMBL6508848 0.79 AURKA (0.54) 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.