SCHEMBL9258730

SCHEMBL9258730

CCc1nccn1-c1ccc(N2CC(CNC(=O)c3ccc4c(c3)C(N)=NC4)CC2=O)cc1F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BPTF Q12830 1/20 0.35
▸ PDE4B Q07343 2/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ F10 P00742 7/20 0.32
▸ F2 P00734 1/20 0.32
▸ MAPK14 Q16539 4/20 0.32
▸ DHODH Q02127 2/20 0.32
▸ MAOA P21397 2/20 0.32
▸ MAOB P27338 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ CALML3 P27482 1/20 0.32
▸ SDHA P31040 1/20 0.32
▸ WDR5 P61964 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ MAPK11 Q15759 1/20 0.31

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
SCHEMBL9267790 0.82 F10 (0.37) BPTFPDE4BPDE4APDE4CPDE4D
SCHEMBL5642257 0.77 F10 (0.51) F10F2
SCHEMBL5640023 0.76 F10 (0.49) F10F2
SCHEMBL5641410 0.72 F10 (0.52) F10F2
SCHEMBL5639620 0.69 F10 (0.43) F10MAOBKMT2A
SCHEMBL5641037 0.69 F10 (0.41) F10
SCHEMBL5640510 0.69 F10 (0.41) F10MAPK14
SCHEMBL5640680 0.69 F10 (0.50) F10LMNAKMT2A
SCHEMBL5643197 0.68 F10 (0.42) F10MAPK14MAOAMAOBCYP2C9
SCHEMBL4594487 0.68 F10 (0.45) F10LMNA

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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 — — 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP BPTF 365/4885PDE4B 4364/4885PDE4A 4279/4885

“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.

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