SCHEMBL6508709

SCHEMBL6508709

Cc1n[nH]c2c1c(=O)n(CCCOCc1ccccc1)c1ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
PLK1 P53350 2/20 0.42
APOBEC3G Q9HC16 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 5/20 0.38
HPGD P15428 3/20 0.38
TP53 P04637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 2/20 0.38
PGR P06401 1/20 0.38
RORA P35398 1/20 0.38
RORC P51449 1/20 0.38
RORB Q92753 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MCL1 Q07820 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 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
SCHEMBL6512484 0.82 HTT (0.43) GAAMEN1KMT2AHTTLMNA
SCHEMBL6518571 0.81 HDAC3 (0.41) MEN1KMT2AKDM4EHPGDTP53
SCHEMBL6523698 0.81 TSHR (0.47) KDM4EHPGDTDP1PGRRORA
SCHEMBL6515436 0.81 CHEK1 (0.51) GAAPLK1APOBEC3GKDM4EHPGD
SCHEMBL6518514 0.80 MEN1 (0.43) PLK1MEN1KMT2AKDM4EHPGD
SCHEMBL21067780 0.79 CYP1A2 (0.48) GAAPLK1MEN1KMT2AKDM4E
SCHEMBL6521770 0.79 HDAC3 (0.40) PLK1MEN1KMT2AKDM4EHPGD
SCHEMBL6514910 0.79 CHEK1 (0.49) PLK1APOBEC3GKDM4EHPGDTDP1
SCHEMBL6518602 0.79 AURKA (0.41) GAAPLK1APOBEC3GMEN1KMT2A
SCHEMBL6514357 0.78 ALDH1A1 (0.44) MEN1KMT2AKDM4EHPGDTDP1

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 GAA 2750/4885PLK1 151/4885APOBEC3G 4541/4885

“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.