SCHEMBL3312487

SCHEMBL3312487

COc1ccc(C2=NN(C(C)=O)C(c3cc4ccc(C)cc4nc3Cl)C2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
PKM P14618 1/20 0.55
ACHE P22303 4/20 0.51
MAOB P27338 4/20 0.51
MAPT P10636 1/20 0.51
BLM P54132 1/20 0.51
P2RY6 Q15077 1/20 0.50
ABCB1 P08183 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
MAOA P21397 3/20 0.49
EGFR P00533 2/20 0.49
XBP1 P17861 1/20 0.48

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
SCHEMBL3314444 0.93 PKM (0.55) KDM4EPKMACHEMAOBMAPT
SCHEMBL3311133 0.91 MAOB (0.58) KDM4EPKMACHEMAOBMAPT
SCHEMBL3314961 0.89 XBP1 (0.60) KDM4EPKMACHEMAOBABCB1
SCHEMBL3310763 0.83 PKM (0.57) KDM4EPKMACHEMAOBP2RY6
SCHEMBL3318263 0.79 KDM4E (0.71) KDM4EPKMMAPTBLMP2RY6
SCHEMBL3314554 0.79 XBP1 (0.57) KDM4EPKMMAPTBLMABCB1
SCHEMBL3312789 0.78 KDM4E (0.65) KDM4EPKMMAPTBLMP2RY6
SCHEMBL3316509 0.78 XBP1 (0.76) KDM4EPKMMAPTBLMP2RY6
SCHEMBL3312460 0.77 MAOB (0.78) KDM4EPKMACHEMAOBMAOA
SCHEMBL3318087 0.77 KDM4E (0.63) KDM4EPKMMAPTBLMP2RY6

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
WO-2008045663-A2 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTIINFLAMMATORY AGENTS KALYPSYS, INC. (US) 2008-04-17 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-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS PDE4A, PDE4B, PDE4C KDM4E 332/4885PKM 2178/4885ACHE 572/4885

“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.