SCHEMBL22735689

SCHEMBL22735689

CCn1cnc2c1C(=O)NC1OC1N2Cc1ccc(CNS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 10/20 0.51
▸ POLB P06746 3/20 0.51
▸ THRB P10828 3/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ MAPT P10636 2/20 0.49
▸ BRD4 O60885 9/20 0.40
▸ LMNA P02545 1/20 0.36

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
SCHEMBL22735922 0.80 BRD4 (0.58) TP53POLBMAPTBRD4
SCHEMBL22734715 0.66 BRD4 (0.61) TP53MAPTBRD4
SCHEMBL24247540 0.65 BRD4 (0.52) POLBBRD4LMNA
SCHEMBL22735880 0.64 BRD4 (0.59) BRD4LMNA
SCHEMBL972519 0.61 TP53 (0.62) TP53POLBTHRBTDP1MAPT
SCHEMBL22735690 0.61 BRD4 (0.54) BRD4
SCHEMBL22734659 0.60 KMT2A (0.37) TP53POLBTHRBMAPTBRD4
SCHEMBL22734477 0.59 TP53 (0.36) TP53POLBTHRBMAPTLMNA
SCHEMBL22735793 0.58 BRD4 (1.00) BRD4
SCHEMBL22735934 0.58 BRD4 (1.00) BRD4

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 TP53 1128/4885POLB 569/4885THRB 1626/4885
US-11180510-B2 Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins BET1, BRD4, BRD3 TP53 1349/4885POLB 620/4885THRB 1631/4885

“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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