SCHEMBL6525478

SCHEMBL6525478

C=CCNC(C)(C)CCn1c(=O)c2c(C)n(C3CCCCO3)nc2c2cc(Cl)ccc21

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.36
CNR2 P34972 6/20 0.34

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
SCHEMBL6533276 0.87 CNR2 (0.38) CHEK1CNR2
SCHEMBL6522000 0.86 CHEK1 (0.41) CHEK1CNR2
SCHEMBL6516690 0.86 CHEK1 (0.42) CHEK1CNR2
SCHEMBL6511866 0.85 CHEK1 (0.38) CHEK1CNR2
SCHEMBL6511094 0.81 CHEK1 (0.41) CHEK1CNR2
SCHEMBL6514165 0.79 CHEK1 (0.39) CHEK1CNR2
SCHEMBL6511027 0.78 ATR (0.42) CHEK1CNR2
SCHEMBL6507186 0.77 HTR2C (0.41) CHEK1CNR2
SCHEMBL6515376 0.77 MAPT (0.41) CHEK1CNR2
SCHEMBL6522817 0.76 CHEK1 (0.39) CHEK1CNR2

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 3139/4885

“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.