SCHEMBL21138720

SCHEMBL21138720

COC(=O)C(=O)Nc1ccc(C#N)cc1F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 4/20 0.46
GPR35 Q9HC97 3/20 0.44
USP30 Q70CQ3 1/20 0.44
SIRT2 Q8IXJ6 2/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4805167 0.81 HDAC1 (0.54) MAP2K1USP30SIRT2PDK1PDK2
SCHEMBL18112296 0.80 MAP2K1 (0.51) MAP2K1USP30SIRT2PDK1PDK2
SCHEMBL1503612 0.80 HTT (0.58)
SCHEMBL23466404 0.79 GPR35 (0.53) GPR35PDK1PDK2PDK3PDK4
SCHEMBL29758069 0.79 GPR35 (0.53) GPR35PDK1PDK2PDK3PDK4
SCHEMBL16924564 0.79 CXCR1 (0.47) MAP2K1USP30SIRT2PDK1PDK2
SCHEMBL20560202 0.78 USP30 (0.47) MAP2K1USP30SIRT2PDK1PDK2
SCHEMBL21138721 0.78 HPGD (0.50) MAP2K1GPR35MEN1KMT2A
SCHEMBL29582812 0.77 EGLN2 (0.53) MAP2K1USP30PDK1PDK2PDK3
SCHEMBL21138715 0.77 ALDH1A1 (0.57) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-11-12 US disclosed
WO-2019115586-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-06-20 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-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT MAP2K1 3897/4885GPR35 1065/4885USP30 2066/4885

“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.