SCHEMBL21389577

SCHEMBL21389577

CCn1c(CO)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
TPH2 Q8IWU9 12/20 0.61
TPH1 P17752 11/20 0.61
KDM4E B2RXH2 2/20 0.60
TSHR P16473 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HSD17B10 Q99714 1/20 0.60
BRD4 O60885 1/20 0.58
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
PKM P14618 1/20 0.56
MCL1 Q07820 1/20 0.56
ADORA3 P0DMS8 2/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL21389578 0.91 MEN1 (0.83) MEN1KMT2ATPH2TPH1KDM4E
SCHEMBL22105477 0.81 MEN1 (0.68) MEN1KMT2ATPH2TPH1KDM4E
SCHEMBL21389579 0.80 MEN1 (0.66) MEN1KMT2ATPH2TPH1KDM4E
SCHEMBL23730961 0.79 MEN1 (0.65) MEN1KMT2ATPH2TPH1KDM4E
SCHEMBL19066314 0.79 MEN1 (0.65) MEN1KMT2AKDM4ETSHRNPSR1
SCHEMBL19874720 0.76 TPH2 (1.00) MEN1KMT2ATPH2TPH1
SCHEMBL19827111 0.74 TPH2 (1.00) TPH2TPH1
SCHEMBL19090444 0.73 BRD4 (1.00) MEN1KMT2AKDM4EBRD4
SCHEMBL9386107 0.73 ALDH1A1 (0.58) MEN1KMT2AKDM4ETSHRNPSR1
SCHEMBL21389540 0.73 BRD4 (0.62) MEN1KMT2ATPH2TPH1KDM4E

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 543/4885TPH2 3358/4885
US-11225481-B2 Xanthine derivative inhibitors of BET proteins BET1, BRD4, BRD3 MEN1 3816/4885KMT2A 543/4885TPH2 3358/4885

“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.