SCHEMBL6509056

SCHEMBL6509056

Cc1c2c(=O)n(C)c3c(C#CCNC(=O)OC(C)(C)C)cc(Cl)cc3c2nn1C1CCCCO1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.34
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
KRAS P01116 1/20 0.32
DPP4 P27487 4/20 0.32
PTPN11 Q06124 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL6514337 0.78 PGK1 (0.37)
SCHEMBL6511027 0.77 ATR (0.42) ATR
SCHEMBL6517473 0.76 ATR (0.42) ATR
SCHEMBL6510585 0.76 ATR (0.37) ATRKRASHTR2CSLC6A4
SCHEMBL6509485 0.75 GAA (0.36) ATR
SCHEMBL6514298 0.75 RET (0.34) ATR
SCHEMBL6515574 0.73 ATR (0.41) ATRKRAS
SCHEMBL6521383 0.72 ATR (0.41) ATR
SCHEMBL6508889 0.71 ATR (0.42) ATR
SCHEMBL6521803 0.71 PLK1 (0.44) ATR

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 ATR 717/4885DDB1 469/4885CRBN 648/4885

“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.