SCHEMBL21389508

SCHEMBL21389508

CCn1c(CSc2nc3cc(C(=O)OC)ccc3o2)nc2c1c(=O)[nH]c(=O)n2Cc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ BRD4 O60885 3/20 0.54
▸ BRD2 P25440 2/20 0.54
▸ BRD3 Q15059 2/20 0.54
▸ TPH1 P17752 6/20 0.48
▸ TPH2 Q8IWU9 6/20 0.48
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ DRD2 P14416 2/20 0.41
▸ TBXA2R P21731 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ BRDT Q58F21 1/20 0.40

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
SCHEMBL21389530 0.92 BRD4 (0.56) MAPTNPSR1BRD4BRD2BRD3
SCHEMBL21389562 0.87 MAPT (0.45) MAPTNPSR1BRD4BRD2BRD3
SCHEMBL21389588 0.87 BRD4 (0.56) MAPTNPSR1BRD4BRD2BRD3
SCHEMBL21389561 0.86 BRD4 (0.56) BRD4BRD2BRD3TPH1TPH2
SCHEMBL23731052 0.86 BRD4 (0.57) MAPTNPSR1BRD4BRD2BRD3
SCHEMBL19090314 0.84 BRD4 (0.56) MAPTBRD4BRD2BRD3TPH1
SCHEMBL23731023 0.84 BRD4 (0.55) MAPTNPSR1BRD4BRD2BRD3
SCHEMBL21389556 0.83 BRD4 (0.54) MAPTBRD4BRD2BRD3TPH1
SCHEMBL21389515 0.80 BRD4 (0.51) MAPTNPSR1BRD4BRD2BRD3
SCHEMBL23730964 0.80 BRD4 (0.51) NPSR1BRD4BRD2BRD3TPH1

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 MAPT 2558/4885NPSR1 4486/4885BRD4 2/4885
US-11225481-B2 Xanthine derivative inhibitors of BET proteins BET1, BRD4, BRD3 MAPT 2558/4885NPSR1 4486/4885BRD4 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.

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