SCHEMBL6670133

SCHEMBL6670133

Cc1c(F)c(N2CCC(N)C2)c(C)c2c1c(=O)[nH]c(=O)n2C1CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.38
RPS6KB1 P23443 1/20 0.38
MATK P42679 1/20 0.38
DYRK1A Q13627 1/20 0.38
MAPKAPK3 Q16644 1/20 0.38
AURKB Q96GD4 1/20 0.38
KCNH2 Q12809 9/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
PIM1 P11309 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CSNK1G1 Q9HCP0 1/20 0.34
SCN5A Q14524 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
SCHEMBL6670010 0.90 PIM3 (0.35) PIM3RPS6KB1MATKDYRK1AMAPKAPK3
SCHEMBL6670377 0.88 KCNH2 (0.34) PIM3RPS6KB1MATKDYRK1AMAPKAPK3
SCHEMBL6670927 0.87 KCNH2 (0.36) MAPKAPK3KCNH2PIM1SCN5A
SCHEMBL6673140 0.87 KCNH2 (0.35) PIM3RPS6KB1MATKDYRK1AMAPKAPK3
SCHEMBL6672115 0.86 ALDH1A1 (0.36) KCNH2ALDH1A1
SCHEMBL7097575 0.86 KCNH2 (0.35) KCNH2SCN5A
Hydrochloric Acid SCHEMBL6668521 0.85 KCNH2 (0.52) KCNH2SCN5A
Hydrochloric Acid SCHEMBL6670579 0.85 KCNH2 (0.52) KCNH2SCN5A
SCHEMBL6669217 0.85 KCNH2 (0.50) KCNH2SCN5A
SCHEMBL7094184 0.85 KCNH2 (0.34) KCNH2SCN5A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401830-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2004-03-31 EP claimed
US-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance WARNER-LAMBERT COMPANY 2003-06-19 US claimed
WO-2002102793-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-12-27 WO claimed
EP-1401830-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2004-03-31 EP disclosed
US-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance WARNER-LAMBERT COMPANY 2003-06-19 US disclosed
WO-2002102793-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-12-27 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-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance ABCC1, RPS6KA1, SIGMAR1 PIM3 1524/4885RPS6KB1 36/4885MATK 3472/4885

“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.