SCHEMBL14840942

SCHEMBL14840942

O=C(NC1CCC(CO)CC1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.48
▸ PDK1 Q15118 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ PDK3 Q15120 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ DRD2 P14416 6/20 0.39
▸ HTR2A P28223 6/20 0.39
▸ DRD3 P35462 6/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ LRRK2 Q5S007 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ASGR1 P07306 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33

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
SCHEMBL14840943 1.00 PKM (0.48) PKMPDK1PDK2PDK3PDK4
SCHEMBL16387865 0.89 PKM (0.46) PKMPDK1PDK2PDK3PDK4
SCHEMBL993860 0.85 PKM (0.61) PKMPDK1PDK2PDK3PDK4
SCHEMBL21162009 0.79 PKM (0.43) PKMPDK1PDK2PDK3PDK4
SCHEMBL9795122 0.78 PKM (0.38) PKMPDK1PDK2PDK3PDK4
SCHEMBL9498338 0.78 PKM (0.38) PKMPDK1PDK2PDK3PDK4
SCHEMBL22990996 0.78 PKM (0.53) PKMPDK1PDK2PDK3PDK4
SCHEMBL3273850 0.78 PKM (0.53) PKMPDK1PDK2PDK3PDK4
SCHEMBL3273849 0.78 PKM (0.53) PKMPDK1PDK2PDK3PDK4
SCHEMBL4543546 0.78 EPHX2 (0.58) PKMPDK1PDK2PDK3PDK4

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-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-04-11 — — US disclosed
EP-2397482-A1 Heteroaryl imidazolone derivatives as jak inhibitors Almirall, S.A. (ES) 2011-12-21 — — EP disclosed
EP-2397482-A1 Heteroaryl imidazolone derivatives as jak inhibitors Almirall, S.A. (ES) 2011-12-21 — — EP 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-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 PKM 1383/4885PDK1 380/4885PDK2 340/4885

“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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