SCHEMBL22400684

SCHEMBL22400684

O=C1c2ccccc2C(=O)N1Cc1ccc(CBr)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ PKM P14618 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CA12 O43570 2/20 0.41

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
SCHEMBL30676750 0.85 CYP1B1 (0.56) ALDH1A1CYP1B1RXFP1
SCHEMBL3213661 0.84 CASP3 (0.49) CASP3KMT2AMEN1PKMALDH1A1
SCHEMBL14321537 0.79 RXFP1 (0.47) CASP3KMT2AMEN1PKMALDH1A1
SCHEMBL2082266 0.78 CASP3 (0.44) CASP3KMT2AMEN1PKMALDH1A1
SCHEMBL14321143 0.78 CASP3 (0.43) CASP3KMT2AMEN1PKMALDH1A1
SCHEMBL1337353 0.77 CA12 (0.57) CASP3KMT2AMEN1ALDH1A1MAPT
SCHEMBL9757668 0.77 KMT2A (0.56) CASP3KMT2AMEN1PKMALDH1A1
SCHEMBL7957447 0.77 RECQL (0.47) CASP3KMT2AMEN1PKMALDH1A1
SCHEMBL1338882 0.76 CASP3 (0.46) CASP3KMT2AMEN1PKMALDH1A1
SCHEMBL1719617 0.74 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPTTSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3707139-B1 XANTHINE DERIVATIVES AND USES THEREOF AS INHIBITORS OF BROMODOMAINS OF BET PROTEINS CENTRE NAT RECH SCIENT (FR) 2022-02-16 — — EP disclosed
EP-3707139-B1 XANTHINE DERIVATIVES AND USES THEREOF AS INHIBITORS OF BROMODOMAINS OF BET PROTEINS CENTRE NAT RECH SCIENT (FR) 2022-02-16 — — EP disclosed
US-11180510-B2 Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-11-23 — — US disclosed
US-11180510-B2 Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-11-23 — — US disclosed
US-20200377522-A1 XANTHINE DERIVATIVES AND USES THEREOF AS INHIBITORS OF BROMODOMAINS OF BET PROTEINS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-12-03 — — US disclosed
US-20200377522-A1 XANTHINE DERIVATIVES AND USES THEREOF AS INHIBITORS OF BROMODOMAINS OF BET PROTEINS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-12-03 — — US disclosed
EP-3707139-A1 XANTHINE DERIVATIVES AND USES THEREOF AS INHIBITORS OF BROMODOMAINS OF BET PROTEINS Centre National de la Recherche Scientifique (FR) 2020-09-16 — — EP 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-20200377522-A1 XANTHINE DERIVATIVES AND USES THEREOF AS INHIBITORS OF BROMODOMAINS OF BET PROTEINS BET1, BRD4, BRD3 CASP3 4029/4885KMT2A 941/4885MEN1 3935/4885
US-11180510-B2 Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins BET1, BRD4, BRD3 CASP3 4018/4885KMT2A 1009/4885MEN1 3928/4885

“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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