SCHEMBL6518514

SCHEMBL6518514

Cc1n[nH]c2c1c(=O)n(CCCNCCc1ccccc1)c1ccccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
THRB P10828 1/20 0.40
MAPT P10636 2/20 0.40
PLK1 P53350 1/20 0.39
PIM3 Q86V86 2/20 0.38
PIM1 P11309 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ADORA2B P29275 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL6518571 0.91 HDAC3 (0.41) MEN1KMT2APIM3PIM1KDM4E
SCHEMBL6521770 0.84 HDAC3 (0.40) MEN1KMT2APLK1KDM4ELMNA
SCHEMBL6512484 0.81 HTT (0.43) MEN1KMT2AADORA2BLMNAHTT
SCHEMBL6510553 0.81 PLK1 (0.47) MEN1KMT2AMAPTPLK1KDM4E
SCHEMBL6508709 0.80 GAA (0.42) MEN1KMT2AMAPTPLK1KDM4E
SCHEMBL6523698 0.80 TSHR (0.47) PIM3PIM1KDM4ELMNAHPGD
SCHEMBL6515436 0.80 CHEK1 (0.51) PLK1PIM3PIM1KDM4ELMNA
SCHEMBL6523226 0.79 FAAH (0.44) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL21067780 0.79 CYP1A2 (0.48) MEN1KMT2AMAPTPLK1KDM4E
SCHEMBL6514910 0.78 CHEK1 (0.49) PLK1KDM4ELMNAMAPK1HTT

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 MEN1 1973/4885KMT2A 1919/4885THRB 2506/4885

“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.