SCHEMBL6510362

SCHEMBL6510362

Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(NC(=O)CCN3CCCCC3)cc21

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.58
KCNH2 Q12809 1/20 0.54
NPY5R Q15761 3/20 0.49
TERT O14746 11/20 0.48
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6522407 0.90 CHEK1 (0.66) CHEK1KCNH2MAPTMEN1KMT2A
SCHEMBL6508392 0.84 CHEK1 (0.59) CHEK1KCNH2TERT
SCHEMBL6515680 0.84 CHEK1 (0.68) CHEK1KCNH2ALDH1A1MAPTMEN1
SCHEMBL6517916 0.84 CHEK1 (0.63) CHEK1KCNH2NPY5R
SCHEMBL6522894 0.80 CHEK1 (0.65) CHEK1KCNH2TERT
SCHEMBL6519989 0.79 CHEK1 (0.61) CHEK1KCNH2MAPT
SCHEMBL6514716 0.78 CHEK1 (0.70) CHEK1KCNH2ALDH1A1MAPTMEN1
SCHEMBL6515402 0.77 CHEK1 (0.61) CHEK1KCNH2
SCHEMBL6515391 0.76 CHEK1 (0.77) CHEK1KCNH2ALDH1A1
SCHEMBL6515303 0.76 CHEK1 (0.62) CHEK1KCNH2

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 CHEK1 3/4885KCNH2 3052/4885NPY5R 4834/4885

“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.