SCHEMBL6512996

SCHEMBL6512996

Cc1[nH]nc2c1c(=O)n(CCCNCc1ccc[nH]1)c1ccc(Cl)cc21

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.65
KCNH2 Q12809 1/20 0.41
AURKA O14965 1/20 0.39
KDR P35968 1/20 0.39
AURKB Q96GD4 1/20 0.39
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
PLK1 P53350 2/20 0.33
TP53 P04637 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
SCHEMBL6516673 0.85 CHEK1 (0.64) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6515081 0.85 CHEK1 (0.74) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6511246 0.84 CHEK1 (0.73) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6518122 0.83 CHEK1 (0.64) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6513516 0.83 CHEK1 (0.77) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6515715 0.83 CHEK1 (0.70) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6515407 0.80 CHEK1 (0.71) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6517703 0.79 CHEK1 (1.00) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6511411 0.79 CHEK1 (0.80) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6508856 0.78 CHEK1 (0.72) CHEK1KCNH2AURKAKDRAURKB

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 3/4885KCNH2 3052/4885AURKA 78/4885

“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.