SCHEMBL6513159

SCHEMBL6513159

C#Cc1ccc2c(c1)c1n[nH]c(C)c1c(=O)n2CC1CCCNC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.43
SYK P43405 1/20 0.43
KCNH2 Q12809 2/20 0.41
BRD4 O60885 1/20 0.40
AURKA O14965 1/20 0.37
KDR P35968 1/20 0.37
AURKB Q96GD4 1/20 0.37
FEN1 P39748 1/20 0.37
GHSR Q92847 1/20 0.36
P2RX3 P56373 1/20 0.36

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
SCHEMBL6513244 0.86 CHEK1 (0.60) CHEK1SYKKCNH2BRD4AURKA
SCHEMBL6046707 0.76 AURKA (0.62) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6518538 0.76 CHEK1 (0.67) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6514026 0.75 CHEK1 (0.72) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046718 0.75 CHEK1 (0.43) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6515649 0.74 CHEK1 (0.56) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046808 0.73 CHEK1 (0.46) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6514934 0.72 CHEK1 (0.43) CHEK1SYKKCNH2BRD4FEN1
SCHEMBL6519279 0.72 SYK (0.43) SYKBRD4FEN1GHSRP2RX3
SCHEMBL6046688 0.70 CHEK1 (0.44) 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 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 3/4885SYK 1199/4885KCNH2 3052/4885

“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.