SCHEMBL3312894

SCHEMBL3312894

COc1ccc(C2=NN(C(C)=O)C(c3ccccc3F)C2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.66
MAOB P27338 5/20 0.64
MAOA P21397 4/20 0.64
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
POLB P06746 1/20 0.60
ACHE P22303 5/20 0.58
KMT2A Q03164 1/20 0.58
EGFR P00533 2/20 0.56

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
SCHEMBL3312460 0.90 MAOB (0.78) PKMMAOBMAOAKDM4EALDH1A1
SCHEMBL3313107 0.86 KMT2A (0.62) MAOBMAOAKDM4EALDH1A1POLB
SCHEMBL3312796 0.86 PKM (0.67) PKMMAOBMAOAKDM4EALDH1A1
SCHEMBL3319431 0.85 KMT2A (0.61) PKMMAOBMAOAKDM4EALDH1A1
SCHEMBL3518452 0.85 KDM4E (0.70) PKMMAOBKDM4EALDH1A1POLB
SCHEMBL3314901 0.85 KDM4E (0.84) PKMKDM4EALDH1A1POLBKMT2A
SCHEMBL3314530 0.84 MAOB (0.83) PKMMAOBMAOAACHEKMT2A
SCHEMBL3312780 0.83 KDM4E (0.56) PKMMAOBMAOAKDM4EALDH1A1
SCHEMBL3314904 0.83 ACHE (0.71) PKMMAOBMAOAACHEKMT2A
SCHEMBL15425085 0.82 MAOB (0.69) PKMMAOBMAOAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 US disclosed
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 US disclosed
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 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-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS PDE4A, PDE4B, PDE4C PKM 2178/4885MAOB 233/4885MAOA 181/4885

“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.