SCHEMBL21389515

SCHEMBL21389515

CCn1c(CSc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3o2)nc2c1c(=O)[nH]c(=O)n2Cc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.51
▸ BRD2 P25440 2/20 0.51
▸ BRD3 Q15059 2/20 0.51
▸ LMNA P02545 6/20 0.44
▸ MAPT P10636 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 3/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TSHR P16473 4/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TPH1 P17752 2/20 0.40
▸ TPH2 Q8IWU9 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39

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
SCHEMBL19090308 0.94 TSHR (0.47) BRD4BRD2BRD3LMNAMAPT
SCHEMBL21389535 0.94 BRD4 (0.51) BRD4BRD2BRD3LMNAMAPT
SCHEMBL19090314 0.89 BRD4 (0.56) BRD4BRD2BRD3LMNAMAPT
SCHEMBL21389556 0.88 BRD4 (0.54) BRD4BRD2BRD3LMNAMAPT
SCHEMBL23730964 0.85 BRD4 (0.51) BRD4BRD2BRD3LMNAALDH1A1
SCHEMBL23731052 0.83 BRD4 (0.57) BRD4BRD2BRD3MAPTSMN1; SMN2
SCHEMBL23731023 0.83 BRD4 (0.55) BRD4BRD2BRD3MAPTALDH1A1
SCHEMBL21389588 0.82 BRD4 (0.56) BRD4BRD2BRD3MAPTSMN1; SMN2
SCHEMBL21389530 0.82 BRD4 (0.56) BRD4BRD2BRD3MAPTSMN1; SMN2
SCHEMBL19090329 0.81 BRD4 (0.46) BRD4BRD2BRD3LMNAMAPT

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.

Send feedback