SCHEMBL6169430

SCHEMBL6169430

CCOC(=O)c1cc(C2CC2)c2c(C)c(N3C[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C3)c(F)cn2c1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 1/20 0.35
AURKA O14965 1/20 0.34
PDPK1 O15530 1/20 0.34
AURKB Q96GD4 1/20 0.34
RET P07949 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
DPP4 P27487 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
SCHEMBL6169447 0.92 EIF2AK4 (0.35) EIF2AK4AURKAPDPK1AURKBRET
SCHEMBL7509631 0.90 PIM1 (0.35) RETJAK2JAK1DPP4
Trifluoroacetic Acid SCHEMBL6177905 0.88 EIF2AK4 (0.35) EIF2AK4AURKAPDPK1AURKB
SCHEMBL6486743 0.84 KAT8 (0.32) RETJAK2JAK1TYK2JAK3
SCHEMBL6803943 0.83 RET (0.32) RET
SCHEMBL7099200 0.83 RET (0.32) RET
SCHEMBL6803945 0.83 RET (0.32) RET
SCHEMBL6170568 0.83 RET (0.31) RETJAK2JAK1TYK2JAK3
SCHEMBL10208012 0.83 PIM1 (0.36)
SCHEMBL15256899 0.83 PIM1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900224-B2 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY (US) 2005-05-31 US disclosed
EP-1532137-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2005-05-25 EP disclosed
US-20040038975-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2004-02-26 US disclosed
WO-2004014893-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2004-02-19 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-20040038975-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 EIF2AK4 1890/4885AURKA 2459/4885PDPK1 3443/4885

“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.