SCHEMBL7096862

SCHEMBL7096862

C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2ccc3c(=O)[nH]c(=O)n(C4CC4)c3c2OC(F)F)C1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.37
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
JAK1 P23458 1/20 0.30

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
SCHEMBL7096861 1.00 KCNH2 (0.37) KCNH2PIM1PIM3PIM2JAK1
SCHEMBL6675205 0.86 KCNH2 (0.39) KCNH2
SCHEMBL6675208 0.86 KCNH2 (0.39) KCNH2
Hydrochloric Acid SCHEMBL6669411 0.83 KCNH2 (0.46) KCNH2
Hydrochloric Acid SCHEMBL7097458 0.83 KCNH2 (0.46) KCNH2
SCHEMBL7093090 0.79 KCNH2 (0.37) KCNH2
SCHEMBL7093091 0.79 KCNH2 (0.37) KCNH2
SCHEMBL7099119 0.78 KCNH2 (0.34) KCNH2
SCHEMBL6672595 0.78 KCNH2 (0.39) KCNH2
SCHEMBL6672592 0.78 KCNH2 (0.39) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance WARNER-LAMBERT COMPANY 2003-06-19 US 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 KCNH2 143/4885PIM1 1570/4885PIM3 1524/4885

“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.