SCHEMBL22931801

SCHEMBL22931801

N#Cc1nc2ccccc2nc1Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ DHODH Q02127 3/20 0.48
▸ EPHX2 P34913 4/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KDM1A O60341 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ PDGFRB P09619 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
SCHEMBL29420829 1.00 ABCG2 (0.51) ABCG2MEN1KMT2ARAB9ACTDSP1
SCHEMBL28133586 0.78 MEN1 (0.55) ABCG2MEN1KMT2ARAB9ACTDSP1
SCHEMBL22931764 0.75 DHODH (0.46) ABCG2MEN1KMT2ARAB9ACTDSP1
SCHEMBL22931771 0.75 DHODH (0.51) MEN1KMT2ARAB9ACTDSP1TDP1
SCHEMBL29420822 0.75 DHODH (0.51) MEN1KMT2ARAB9ACTDSP1TDP1
SCHEMBL29420820 0.72 DHODH (0.46) ABCG2DHODHALDH1A1LMNAGAA
SCHEMBL22932191 0.72 DHODH (0.46) ABCG2DHODHALDH1A1LMNAGAA
SCHEMBL28468206 0.71 ABCG2 (0.61) ABCG2MEN1KMT2ARAB9ACTDSP1
SCHEMBL29420813 0.71 ABCG2 (0.48) ABCG2MEN1KMT2ARAB9ACTDSP1
SCHEMBL22931799 0.71 ABCG2 (0.48) ABCG2MEN1KMT2ARAB9ACTDSP1

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 ABCG2 1631/4885MEN1 865/4885KMT2A 2986/4885

“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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