SCHEMBL6510992

SCHEMBL6510992

Cc1c2c(=O)n(CCC3CCCCN3C(=O)OC(C)(C)C)c3ccc(Cl)cc3c2nn1C1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.36
ATM Q13315 2/20 0.36
CNR2 P34972 3/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AHCY P23526 3/20 0.34
CHEK1 O14757 3/20 0.34
CNR1 P21554 1/20 0.34
KRAS P01116 1/20 0.34
CHEK2 O96017 1/20 0.33
PDE7B Q9NP56 1/20 0.32

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
SCHEMBL6521469 0.86 ALDH1A1 (0.41) ALOX5APCNR2ALDH1A1MEN1LMNA
SCHEMBL6512818 0.83 P2RX3 (0.40) CNR2CHEK1CNR1KRAS
SCHEMBL6510837 0.82 CHEK1 (0.54) ALOX5APATMALDH1A1MEN1LMNA
SCHEMBL6511094 0.81 CHEK1 (0.41) ATMCNR2ALDH1A1LMNAMAPT
SCHEMBL6514701 0.80 CHEK1 (0.36) CNR2ALDH1A1LMNAAHCYCHEK1
SCHEMBL6514903 0.80 HTR2C (0.37) CNR2ALDH1A1CHEK1KRAS
SCHEMBL6516690 0.80 CHEK1 (0.42) ATMCNR2ALDH1A1LMNAMAPT
SCHEMBL6510585 0.79 ATR (0.37) CNR2ALDH1A1KMT2ANPSR1CHEK1
SCHEMBL6522000 0.77 CHEK1 (0.41) ATMCNR2ALDH1A1LMNAMAPT
SCHEMBL6511866 0.77 CHEK1 (0.38) CNR2ALDH1A1LMNAMAPTKMT2A

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 ALOX5AP 4865/4885ATM 321/4885CNR2 3139/4885

“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.