SCHEMBL6512484

SCHEMBL6512484

Cc1n[nH]c2c1c(=O)n(CCCNC(=O)OCc1ccccc1)c1ccccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
BRD4 O60885 1/20 0.42
KEAP1 Q14145 3/20 0.41
NFE2L2 Q16236 3/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TGM2 P21980 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL6517950 0.90 PIK3R1 (0.41) HTTBRD4KEAP1NFE2L2ADORA2A
SCHEMBL6510553 0.84 PLK1 (0.47) HTTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL6508709 0.82 GAA (0.42) HTTGAALMNASMN1; SMN2MEN1
SCHEMBL6518514 0.81 MEN1 (0.43) HTTADORA2BLMNAMEN1KMT2A
SCHEMBL6522006 0.76 MEN1 (0.39) HTTLMNAMEN1KMT2APOLB
SCHEMBL6518602 0.76 AURKA (0.41) GAALMNAMEN1KMT2APOLB
SCHEMBL21067780 0.74 CYP1A2 (0.48) HTTGAALMNASMN1; SMN2MEN1
SCHEMBL6515094 0.74 AKT1 (0.56)
SCHEMBL6513791 0.74 AURKA (0.46) HTTLMNAL3MBTL1ADORA3ADORA1
SCHEMBL6523094 0.74 CHEK1 (0.47) KEAP1NFE2L2ADORA3ADORA1OPRM1

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 HTT 4407/4885BRD4 874/4885KEAP1 2533/4885

“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.