SCHEMBL6515420

SCHEMBL6515420

Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.47
KDR P35968 1/20 0.47
AURKB Q96GD4 1/20 0.47
CHEK1 O14757 3/20 0.43
MAPT P10636 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL6523103 0.88 CHEK1 (0.55) AURKAKDRAURKBCHEK1MAPT
SCHEMBL6517752 0.88 AURKA (0.50) AURKAKDRAURKBCHEK1MAPT
SCHEMBL6513140 0.87 AURKA (0.49) AURKAKDRAURKBCHEK1MAPT
SCHEMBL6521705 0.87 AURKA (0.51) AURKAKDRAURKBCHEK1MAPT
SCHEMBL6513075 0.86 AURKA (0.48) AURKAKDRAURKBCHEK1KMT2A
SCHEMBL6515113 0.86 AURKA (0.48) AURKAKDRAURKBCHEK1MAPT
SCHEMBL6514908 0.85 AURKA (0.47) AURKAKDRAURKBCHEK1TMEM97
SCHEMBL6519817 0.83 CHEK1 (0.50) AURKAKDRAURKBCHEK1TMEM97
SCHEMBL6514632 0.83 TRPV1 (0.47) AURKAKDRAURKBCHEK1MAPT
SCHEMBL6517509 0.82 AURKA (0.48) AURKAKDRAURKBCHEK1MEN1

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.