SCHEMBL6525536

SCHEMBL6525536

Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(N3CCOCC3)cc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.66
KCNH2 Q12809 2/20 0.56
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
PLK1 P53350 1/20 0.42
CASP1 P29466 5/20 0.42
CASP7 P55210 4/20 0.42
HSD17B10 Q99714 3/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
SYK P43405 2/20 0.41
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TERT O14746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL6514716 0.91 CHEK1 (0.70) CHEK1KCNH2KDM4EALDH1A1MEN1
SCHEMBL6512562 0.90 CHEK1 (0.68) CHEK1KCNH2SYKTERT
SCHEMBL6508884 0.82 CHEK1 (0.77) CHEK1KCNH2PLK1SYKHPGD
SCHEMBL6510579 0.82 CHEK1 (0.80) CHEK1KCNH2KDM4EALDH1A1PLK1
SCHEMBL6515693 0.82 CHEK1 (0.59) CHEK1KCNH2PLK1
SCHEMBL6512695 0.81 CHEK1 (0.78) CHEK1KCNH2PLK1
SCHEMBL5131838 0.80 CHEK1 (0.67) CHEK1KCNH2MEN1KMT2AMAPT
SCHEMBL6515391 0.80 CHEK1 (0.77) CHEK1KCNH2KDM4EALDH1A1PLK1
SCHEMBL6517703 0.80 CHEK1 (1.00) CHEK1KCNH2PLK1
SCHEMBL6518189 0.80 CHEK1 (0.77) CHEK1KCNH2ALDH1A1LMNAMAPT

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.