SCHEMBL6046741

SCHEMBL6046741

Cc1[nH]nc2c1c(=O)[nH]c1ccc(C#CCN3CCCC3)cc12

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.55
GRIN1 Q05586 6/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL6046797 0.81 AURKA (0.51) CHEK1GRIN1LMNA
SCHEMBL6046827 0.79 CHEK1 (0.46) CHEK1GRIN1LMNA
SCHEMBL6046715 0.79 CHEK1 (0.46) CHEK1GRIN1LMNA
SCHEMBL6046717 0.79 CHEK1 (0.52) CHEK1GRIN1LMNA
SCHEMBL6046736 0.78 CHEK1 (0.49) CHEK1GRIN1LMNA
SCHEMBL6046815 0.78 CHEK1 (0.47) CHEK1GRIN1LMNA
SCHEMBL6046810 0.77 CHEK1 (0.46) CHEK1GRIN1LMNA
SCHEMBL6046843 0.77 CHEK1 (0.46) CHEK1GRIN1LMNA
SCHEMBL6046702 0.77 CHEK1 (0.48) CHEK1GRIN1LMNA
SCHEMBL6046705 0.77 CHEK1 (0.44) CHEK1GRIN1LMNA

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-20060035920-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-02-16 US disclosed
WO-2005118583-A1 2, 5-DIHYDRO-PYRAZOLO`4, 3-C!QUINOLIN-4-ONES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-12-15 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-20060035920-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 CHEK1 3/4885GRIN1 3953/4885LMNA 2457/4885

“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.