SCHEMBL22734715

SCHEMBL22734715

CCn1cnc2c1C(=O)NC(O)N2Cc1ccc(CNS(=O)(=O)c2cc(-c3ccno3)ccc2C)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 8/20 0.61
▸ MAPT P10636 3/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TP53 P04637 2/20 0.38
▸ BRD2 P25440 1/20 0.36
▸ BRD3 Q15059 1/20 0.36
▸ KCNJ1 P48048 2/20 0.35
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL24247544 0.76 BRD4 (1.00) BRD4BRD2BRD3
SCHEMBL22734477 0.68 TP53 (0.36) MAPTMEN1KMT2ATP53
SCHEMBL22734659 0.68 KMT2A (0.37) BRD4MAPTMEN1KMT2ATP53
SCHEMBL22735698 0.67 KMT2A (0.38) KMT2ATP53SMN1; SMN2L3MBTL1
SCHEMBL22735922 0.67 BRD4 (0.58) BRD4MAPTTP53
SCHEMBL22735689 0.66 TP53 (0.51) BRD4MAPTTP53
SCHEMBL22735677 0.65 KMT2A (0.36) MEN1KMT2ATP53SMN1; SMN2
SCHEMBL22735938 0.65 CTSK (0.38) —
SCHEMBL22735702 0.65 CTSK (0.38) —
SCHEMBL22734504 0.63 CTSS (0.35) MAPTKMT2ATP53

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-11180510-B2 Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-11-23 — — US disclosed
US-20200377522-A1 XANTHINE DERIVATIVES AND USES THEREOF AS INHIBITORS OF BROMODOMAINS OF BET PROTEINS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-12-03 — — US 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 (2 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-20200377522-A1 XANTHINE DERIVATIVES AND USES THEREOF AS INHIBITORS OF BROMODOMAINS OF BET PROTEINS BET1, BRD4, BRD3 BRD4 2/4885MAPT 1856/4885MEN1 3935/4885
US-11180510-B2 Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins BET1, BRD4, BRD3 BRD4 2/4885MAPT 1820/4885MEN1 3928/4885

“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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