SCHEMBL22932193

SCHEMBL22932193

COc1cnc(-c2noc(=O)[nH]2)c(Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.37
▸ JAK2 O60674 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ KDR P35968 2/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ FLT3 P36888 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ PDGFRB P09619 1/20 0.34

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
SCHEMBL29420795 1.00 EPHX2 (0.37) EPHX2JAK2CYP3A4JAK1JAK3
SCHEMBL22931767 0.92 EPHX2 (0.37) EPHX2JAK2CYP3A4JAK1JAK3
SCHEMBL22932203 0.86 DHODH (0.40) EPHX2CYP3A4KDRDHODHFLT3
SCHEMBL29420796 0.86 DHODH (0.40) EPHX2CYP3A4KDRDHODHFLT3
SCHEMBL22932335 0.84 EGFR (0.42) EPHX2DHODHFLT3EGFR
SCHEMBL29420806 0.84 EGFR (0.42) EPHX2DHODHFLT3EGFR
SCHEMBL22931766 0.80 EPHX2 (0.45) EPHX2DHODHFLT3
SCHEMBL24755062 0.80 DHODH (0.40) EPHX2KDRDHODHFLT3EGFR
SCHEMBL22931770 0.78 FLT3 (0.41) EPHX2DHODHFLT3EGFR
SCHEMBL22931802 0.78 EPHX2 (0.45) EPHX2KDR

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-20220402900-A1 1,2,4-OXADIAZOL-5-ONE DERIVATIVES FOR THE TREATMENT OF CANCER BASILEA PHARM INT AG (CH) 2022-12-22 — — US disclosed
WO-2021018869-A1 1,2,4-OXADIAZOL-5-ONE DERIVATIVES FOR THE TREATMENT OF CANCER Basilea Pharmaceutica International AG (CH) 2021-02-04 — — 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-20220402900-A1 1,2,4-OXADIAZOL-5-ONE DERIVATIVES FOR THE TREATMENT OF CANCER OXER1, CBR3, CCNY EPHX2 755/4885JAK2 1596/4885CYP3A4 373/4885

“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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