SCHEMBL6514906

SCHEMBL6514906

CCC(CCCn1c(=O)c2c(C)n(C3CCCCO3)nc2c2cc(Cl)ccc21)NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.35
CNR2 P34972 6/20 0.34
ATR Q13535 3/20 0.33
KRAS P01116 1/20 0.32
MAPT P10636 1/20 0.32
P2RX3 P56373 2/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
NAMPT P43490 1/20 0.31
CACNA1B Q00975 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 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
SCHEMBL6511027 0.87 ATR (0.42) CHEK1CNR2ATRNAMPT
SCHEMBL6514701 0.83 CHEK1 (0.36) CHEK1CNR2ATRKRASHTR2C
SCHEMBL6507186 0.83 HTR2C (0.41) CHEK1CNR2ATRKRASHTR2C
SCHEMBL6514903 0.82 HTR2C (0.37) CHEK1CNR2ATRKRASHTR2C
SCHEMBL6510585 0.82 ATR (0.37) CHEK1CNR2ATRKRASHTR2C
SCHEMBL6517473 0.82 ATR (0.42) CNR2ATR
SCHEMBL6512818 0.81 P2RX3 (0.40) CHEK1CNR2KRASP2RX3HTR2C
SCHEMBL6508960 0.81 ATR (0.41) CHEK1CNR2ATRNAMPT
SCHEMBL6521803 0.79 PLK1 (0.44) CNR2ATR
SCHEMBL6508889 0.79 ATR (0.42) CNR2ATR

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 1 patent. 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

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 CHEK1 3/4885CNR2 3139/4885ATR 717/4885

“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.