SCHEMBL19066312

SCHEMBL19066312

CCCCn1c(=O)[nH]c(=O)c2c1nc(S)n2CC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
KDM4E B2RXH2 6/20 0.57
BRD4 O60885 1/20 0.56
BRD2 P25440 1/20 0.56
BRD3 Q15059 1/20 0.56
BRDT Q58F21 1/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
TDP1 Q9NUW8 1/20 0.56
HSD17B10 Q99714 4/20 0.52
MAPK1 P28482 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
RXFP1 Q9HBX9 2/20 0.52
HPGD P15428 2/20 0.52
KDM4A O75164 1/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
KDM4C Q9H3R0 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.51

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
SCHEMBL19066313 0.83 ALDH1A1 (0.57) ALDH1A1KDM4EBRD4BRD2BRD3
SCHEMBL21389539 0.82 ALDH1A1 (0.62) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL19066322 0.81 RXFP1 (0.59) ALDH1A1KDM4EBRD4BRD2BRD3
SCHEMBL19066314 0.81 MEN1 (0.65) ALDH1A1KDM4EBRD4BRD2BRD3
SCHEMBL18479754 0.81 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AHSD17B10MAPK1
SCHEMBL21389540 0.76 BRD4 (0.62) ALDH1A1KDM4EBRD4BRD2BRD3
SCHEMBL3223903 0.74 PDE4A (0.55) ALDH1A1KDM4EBRD4BRD2BRD3
SCHEMBL19090458 0.74 ALDH1A1 (0.55) ALDH1A1KDM4EBRD4BRD2BRD3
SCHEMBL835360 0.74 TSHR (0.52) ALDH1A1KDM4EBRD4BRD2BRD3
SCHEMBL21381250 0.73 ALDH1A1 (0.45) ALDH1A1KDM4EBRD4BRD2BRD3

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 9 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
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
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
US-20190292186-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-09-26 US disclosed
EP-3397640-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS INSERM - Institut National de la Santé et de la Recherche Médicale (FR) 2018-11-07 EP disclosed
WO-2017114843-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-07-06 WO disclosed
WO-2017114843-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-07-06 WO 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 ALDH1A1 3631/4885KDM4E 276/4885BRD4 2/4885
US-11225481-B2 Xanthine derivative inhibitors of BET proteins BET1, BRD4, BRD3 ALDH1A1 3631/4885KDM4E 276/4885BRD4 2/4885

“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.