SCHEMBL22734477

SCHEMBL22734477

CCn1cnc2c1C(=O)NC(O)N2Cc1ccc(CNC(=O)CCC2CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ENPP2 Q13822 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL22735698 0.84 KMT2A (0.38) TP53KMT2AP2RX7ALDH1A1
SCHEMBL22735677 0.80 KMT2A (0.36) TP53KMT2AP2RX7THRBALDH1A1
SCHEMBL22734659 0.78 KMT2A (0.37) TP53KMT2APOLBTHRBALDH1A1
SCHEMBL22734583 0.76 KMT2A (0.38) KMT2AALDH1A1LMNA
SCHEMBL22735702 0.75 CTSK (0.38) POLBALDH1A1LMNA
SCHEMBL22735938 0.75 CTSK (0.38) POLBALDH1A1LMNA
SCHEMBL22734504 0.73 CTSS (0.35) TP53KMT2APOLBALDH1A1LMNA
SCHEMBL22734479 0.73 BRD4 (0.60) —
SCHEMBL22105567 0.69 TSHR (0.45) ALDH1A1
SCHEMBL22734715 0.68 BRD4 (0.61) TP53KMT2AMEN1MAPT

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 1128/4885HDAC6 402/4885KMT2A 941/4885
US-11180510-B2 Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins BET1, BRD4, BRD3 TP53 1349/4885HDAC6 441/4885KMT2A 1009/4885

“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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