SCHEMBL22735675

SCHEMBL22735675

CCn1cnc2c1c(=O)[nH]c(=O)n2Cc1ccc(CNC(=O)CCC(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 17/20 0.62
▸ BRD2 P25440 1/20 0.62
▸ BRD3 Q15059 1/20 0.62
▸ BRDT Q58F21 1/20 0.62
▸ KMT2A Q03164 1/20 0.49
▸ PDE4A P27815 1/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ PDE4B Q07343 1/20 0.49
▸ PDE4C Q08493 1/20 0.49
▸ PDE4D Q08499 1/20 0.49

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
SCHEMBL22735695 0.91 BRD4 (0.64) BRD4BRD2BRD3BRDTKMT2A
SCHEMBL22735940 0.91 BRD4 (0.67) BRD4BRD2BRD3BRDTKMT2A
SCHEMBL22734479 0.85 BRD4 (0.60) BRD4BRD2BRD3BRDT
SCHEMBL22400721 0.85 BRD4 (0.73) BRD4BRD2BRD3BRDTKMT2A
SCHEMBL22712636 0.80 BRD4 (0.63) BRD4BRD2BRD3BRDTPDE4A
SCHEMBL22734591 0.80 BRD4 (0.66) BRD4BRD2BRD3BRDTKMT2A
SCHEMBL22734660 0.79 BRD4 (0.64) BRD4BRD2BRD3BRDTPDE4A
SCHEMBL22734585 0.79 BRD4 (0.74) BRD4BRD2BRD3BRDT
SCHEMBL22735801 0.79 BRD4 (0.73) BRD4BRD2BRD3BRDTKMT2A
SCHEMBL24247541 0.78 BRD4 (0.59) BRD4BRD2BRD3BRDT

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 2/4885BRD2 6/4885BRD3 3/4885
US-11180510-B2 Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins BET1, BRD4, BRD3 BRD4 2/4885BRD2 6/4885BRD3 3/4885

“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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