SCHEMBL6512818

SCHEMBL6512818

Cc1c2c(=O)n(CC3CN(C(=O)OC(C)(C)C)C3)c3ccc(Cl)cc3c2nn1C1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.40
PARG Q86W56 2/20 0.39
FEN1 P39748 1/20 0.36
KRAS P01116 1/20 0.36
CNR1 P21554 3/20 0.35
ROCK1 Q13464 1/20 0.35
PLK1 P53350 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
MAPK8 P45983 3/20 0.34
CNR2 P34972 2/20 0.33
MDM2 Q00987 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
NR3C1 P04150 1/20 0.33
CHEK1 O14757 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
SCHEMBL6510585 0.83 ATR (0.37) KRASHTR2CSLC6A4MAPK8CNR2
SCHEMBL6511027 0.83 ATR (0.42) PLK1CNR2CHEK1
SCHEMBL6521469 0.83 ALDH1A1 (0.41) KRASCNR1HTR2CSLC6A4CNR2
SCHEMBL6510992 0.83 ALOX5AP (0.36) KRASCNR1CNR2CHEK1
SCHEMBL6514165 0.81 CHEK1 (0.39) PARGCNR2CHEK1
SCHEMBL6514906 0.81 CHEK1 (0.35) P2RX3KRASHTR2CSLC6A4CNR2
SCHEMBL6507186 0.81 HTR2C (0.41) KRASHTR2CSLC6A4CNR2CHEK1
SCHEMBL6514701 0.80 CHEK1 (0.36) KRASHTR2CSLC6A4CNR2CHEK1
SCHEMBL6514903 0.79 HTR2C (0.37) KRASHTR2CSLC6A4CNR2CHEK1
SCHEMBL6516690 0.79 CHEK1 (0.42) MAPK8CNR2CHEK1

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 P2RX3 4637/4885PARG 4281/4885FEN1 790/4885

“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.