SCHEMBL21389579

SCHEMBL21389579

CCn1c(CCl)nc2c1c(=O)[nH]c(=O)n2Cc1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
BRD4 O60885 5/20 0.64
BRD2 P25440 2/20 0.64
BRD3 Q15059 2/20 0.64
BRDT Q58F21 1/20 0.61
ATM Q13315 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
TPH1 P17752 8/20 0.52
TPH2 Q8IWU9 8/20 0.52
TSHR P16473 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
POLB P06746 1/20 0.50
TP53 P04637 1/20 0.50
XBP1 P17861 1/20 0.50

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
SCHEMBL23730961 0.89 MEN1 (0.65) MEN1KMT2ABRD4BRD2BRD3
SCHEMBL21389578 0.89 MEN1 (0.83) MEN1KMT2ABRD4BRD2BRD3
SCHEMBL21389540 0.84 BRD4 (0.62) MEN1KMT2ABRD4BRD2BRD3
SCHEMBL21389545 0.84 BRD4 (0.62) MEN1KMT2ABRD4BRD2BRD3
SCHEMBL22105566 0.82 BRD4 (0.59) MEN1KMT2ABRD4BRD2BRD3
SCHEMBL21389558 0.80 BRD4 (0.73) MEN1KMT2ABRD4BRD2BRD3
SCHEMBL21389577 0.80 MEN1 (1.00) MEN1KMT2ABRD4TPH1TPH2
SCHEMBL19066325 0.79 BRD4 (1.00) MEN1KMT2ABRD4BRD2BRD3
SCHEMBL21389544 0.78 BRD4 (0.63) MEN1KMT2ABRD4BRD2BRD3
SCHEMBL21389543 0.78 BRD4 (0.63) MEN1KMT2ABRD4BRD2BRD3

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 MEN1 3816/4885KMT2A 543/4885BRD4 2/4885
US-11225481-B2 Xanthine derivative inhibitors of BET proteins BET1, BRD4, BRD3 MEN1 3816/4885KMT2A 543/4885BRD4 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.