SCHEMBL22932335

SCHEMBL22932335

Nc1cnc(-c2noc(=O)[nH]2)c(Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.42
▸ EPHX2 P34913 9/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ KCNH2 Q12809 2/20 0.38
▸ SCN9A Q15858 2/20 0.38
▸ SCN5A Q14524 1/20 0.38
▸ TTBK1 Q5TCY1 1/20 0.35
▸ TTBK2 Q6IQ55 1/20 0.35
▸ DHODH Q02127 2/20 0.35

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
SCHEMBL29420806 1.00 EGFR (0.42) EGFREPHX2FLT3KCNH2SCN9A
SCHEMBL22931770 0.91 FLT3 (0.41) EGFREPHX2FLT3KCNH2SCN9A
SCHEMBL29420796 0.87 DHODH (0.40) EGFREPHX2FLT3DHODH
SCHEMBL22932203 0.87 DHODH (0.40) EGFREPHX2FLT3DHODH
SCHEMBL29420795 0.84 EPHX2 (0.37) EGFREPHX2FLT3DHODH
SCHEMBL22932193 0.84 EPHX2 (0.37) EGFREPHX2FLT3DHODH
SCHEMBL22931766 0.83 EPHX2 (0.45) EPHX2FLT3DHODH
SCHEMBL24755062 0.80 DHODH (0.40) EGFREPHX2FLT3DHODH
SCHEMBL22931802 0.80 EPHX2 (0.45) EPHX2
SCHEMBL29420799 0.80 EPHX2 (0.45) EPHX2

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 EGFR 355/4885EPHX2 755/4885FLT3 707/4885

“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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