SCHEMBL21389564

SCHEMBL21389564

CCCCNS(=O)(=O)c1ccc2nc(SCc3nc4c(c(=O)[nH]c(=O)n4Cc4ccc(Cl)cc4)n3CC)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.52
BRD2 P25440 1/20 0.52
BRD3 Q15059 1/20 0.52
MAPT P10636 7/20 0.49
ALDH1A1 P00352 7/20 0.49
PKM P14618 2/20 0.48
USP2 O75604 2/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 6/20 0.47
HPGD P15428 4/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
BLM P54132 1/20 0.43
CASP7 P55210 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TPH1 P17752 5/20 0.42

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
SCHEMBL21389573 0.94 BRD4 (0.52) BRD4BRD2BRD3MAPTALDH1A1
SCHEMBL23730984 0.85 BRD4 (0.51) BRD4BRD2BRD3MAPTALDH1A1
SCHEMBL21389543 0.81 BRD4 (0.63) BRD4BRD2BRD3ALDH1A1POLB
SCHEMBL21389536 0.81 BRD4 (0.57) BRD4BRD2BRD3ALDH1A1HPGD
SCHEMBL19090325 0.80 ALDH1A1 (0.46) MAPTALDH1A1PKMUSP2POLB
SCHEMBL21389551 0.77 ALDH1A1 (0.58) BRD4BRD2BRD3MAPTALDH1A1
SCHEMBL21389479 0.74 BRD4 (0.58) BRD4BRD2BRD3MAPTALDH1A1
SCHEMBL19090317 0.73 BRD4 (0.47) BRD4BRD2BRD3MAPTALDH1A1
SCHEMBL19090396 0.73 BRD4 (0.48) BRD4BRD2BRD3MAPTALDH1A1
SCHEMBL19090314 0.72 BRD4 (0.56) BRD4BRD2BRD3MAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225481-B2 Xanthine derivative inhibitors of BET proteins CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-01-18 US disclosed
EP-3397640-B1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS INST NAT SANTE RECH MED (FR) 2021-08-04 EP disclosed
US-20190292186-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-09-26 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-20190292186-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS BET1, BRD4, BRD3 BRD4 2/4885BRD2 6/4885BRD3 3/4885
US-11225481-B2 Xanthine derivative inhibitors 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.