SCHEMBL21389543

SCHEMBL21389543

CCn1c(CSc2nc3ccccc3[nH]2)nc2c1c(=O)[nH]c(=O)n2Cc1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.63
BRD2 P25440 2/20 0.63
BRD3 Q15059 2/20 0.63
TPH2 Q8IWU9 11/20 0.63
TPH1 P17752 10/20 0.63
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
APOBEC3G Q9HC16 1/20 0.48
BRDT Q58F21 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL21389536 0.86 BRD4 (0.57) BRD4BRD2BRD3TPH2TPH1
SCHEMBL19090210 0.84 TPH2 (0.57) BRD4BRD2BRD3TPH2TPH1
SCHEMBL21389544 0.84 BRD4 (0.63) BRD4BRD2BRD3TPH2TPH1
SCHEMBL21389479 0.81 BRD4 (0.58) BRD4BRD2BRD3TPH2TPH1
SCHEMBL21389573 0.81 BRD4 (0.52) BRD4BRD2BRD3TPH2TPH1
SCHEMBL21389564 0.81 BRD4 (0.52) BRD4BRD2BRD3TPH2TPH1
SCHEMBL23730984 0.80 BRD4 (0.51) BRD4BRD2BRD3TPH2TPH1
SCHEMBL21389551 0.80 ALDH1A1 (0.58) BRD4BRD2BRD3TPH2TPH1
SCHEMBL21389579 0.78 MEN1 (0.66) BRD4BRD2BRD3TPH2TPH1
SCHEMBL21389558 0.78 BRD4 (0.73) BRD4BRD2BRD3TPH2TPH1

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-11225481-B2 Xanthine derivative inhibitors of BET proteins CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-01-18 US 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.