SCHEMBL6514010

SCHEMBL6514010

COC(=O)CCc1ccc2c(c1)c1n[nH]c(C)c1c(=O)n2CCCN

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.64
KCNH2 Q12809 2/20 0.52
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AURKA O14965 1/20 0.38
KDR P35968 1/20 0.38
AURKB Q96GD4 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 3/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
TLR7 Q9NYK1 1/20 0.34
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34
PLK1 P53350 1/20 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
SCHEMBL6521777 0.90 CHEK1 (0.67) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6518257 0.86 CHEK1 (0.67) CHEK1KCNH2KDM4EALDH1A1HPGD
SCHEMBL6510606 0.86 CHEK1 (0.70) CHEK1KCNH2KDM4EALDH1A1HPGD
SCHEMBL6523697 0.86 CHEK1 (0.72) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6518240 0.85 CHEK1 (0.63) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6507940 0.83 CHEK1 (0.75) CHEK1KCNH2ALDH1A1HPGDAURKA
SCHEMBL6522894 0.81 CHEK1 (0.65) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6515391 0.80 CHEK1 (0.77) CHEK1KCNH2KDM4EALDH1A1HPGD
SCHEMBL6510579 0.80 CHEK1 (0.80) CHEK1KCNH2KDM4EALDH1A1HPGD
SCHEMBL6517977 0.80 CHEK1 (0.64) 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 3/4885KCNH2 3052/4885KDM4E 1251/4885

“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.