SCHEMBL22735922

SCHEMBL22735922

CCn1cnc2c1C(=O)NC1OC1N2Cc1ccc(CNS(=O)(=O)c2ccc3oncc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 15/20 0.58
▸ TP53 P04637 2/20 0.33
▸ POLB P06746 2/20 0.32
▸ MAPT P10636 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
SCHEMBL22735689 0.80 TP53 (0.51) BRD4TP53POLBMAPT
SCHEMBL22734715 0.67 BRD4 (0.61) BRD4TP53MAPT
SCHEMBL22735880 0.63 BRD4 (0.59) BRD4
SCHEMBL24247540 0.62 BRD4 (0.52) BRD4POLB
SCHEMBL22734477 0.59 TP53 (0.36) TP53POLBMAPT
SCHEMBL22735923 0.59 BRD4 (0.72) BRD4
SCHEMBL22735698 0.58 KMT2A (0.38) TP53
SCHEMBL5338915 0.56 MAPT (0.53) TP53POLBMAPT
SCHEMBL21233203 0.55 TRPM5 (0.42) BRD4POLB
SCHEMBL693306 0.55 TRPM5 (0.39) 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 BRD4 2/4885TP53 1128/4885POLB 569/4885
US-11180510-B2 Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins BET1, BRD4, BRD3 BRD4 2/4885TP53 1349/4885POLB 620/4885

“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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