SCHEMBL6514716

SCHEMBL6514716

Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(N3CCCC3)cc21

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.70
KCNH2 Q12809 2/20 0.61
AURKA O14965 1/20 0.41
KDR P35968 1/20 0.41
AURKB Q96GD4 1/20 0.41
PLK1 P53350 1/20 0.36
HSD17B10 Q99714 3/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
SYK P43405 1/20 0.34
IP6K1 Q92551 1/20 0.34
IP6K3 Q96PC2 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
SCHEMBL6512562 0.93 CHEK1 (0.68) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6525536 0.91 CHEK1 (0.66) CHEK1KCNH2PLK1HSD17B10ALDH1A1
SCHEMBL6518666 0.85 CHEK1 (0.51) CHEK1KCNH2PLK1HSD17B10ALDH1A1
SCHEMBL6521294 0.84 CHEK1 (0.50) CHEK1KCNH2PLK1HSD17B10ALDH1A1
SCHEMBL6510579 0.84 CHEK1 (0.80) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6512695 0.83 CHEK1 (0.78) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6522894 0.83 CHEK1 (0.65) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6515391 0.82 CHEK1 (0.77) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6508884 0.82 CHEK1 (0.77) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6517619 0.82 CHEK1 (0.77) 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 3052/4885AURKA 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.