SCHEMBL19090586

SCHEMBL19090586

CCCCn1c(=O)[nH]c(=O)c2c1nc(COc1ccc(Nc3nc4ccccc4c(=O)[nH]3)cc1)n2CC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ TPH2 Q8IWU9 2/20 0.45
▸ MEN1 O00255 8/20 0.44
▸ KMT2A Q03164 8/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TPH1 P17752 1/20 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
SCHEMBL21389582 0.87 KMT2A (0.51) KDM4EALDH1A1TPH2MEN1KMT2A
SCHEMBL23731016 0.76 KDM4E (0.47) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL19090589 0.74 MAPT (0.49) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL19090590 0.73 ALDH1A1 (0.49) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21389555 0.72 ALDH1A1 (0.46) KDM4EALDH1A1TPH2MEN1KMT2A
SCHEMBL19090392 0.71 ALDH1A1 (0.45) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL19090581 0.71 ALDH1A1 (0.46) KDM4EALDH1A1TPH2MEN1KMT2A
SCHEMBL19090561 0.70 HRH3 (0.46) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL19090226 0.70 KDM4E (0.45) KDM4EMEN1KMT2ASMN1; SMN2GAA
SCHEMBL23731227 0.69 KDM4E (0.44) KDM4EMEN1KMT2ASMN1; SMN2GAA

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 4 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
WO-2017114843-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-07-06 — — WO 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 KDM4E 276/4885ALDH1A1 3631/4885TPH2 3358/4885
US-11225481-B2 Xanthine derivative inhibitors of BET proteins BET1, BRD4, BRD3 KDM4E 276/4885ALDH1A1 3631/4885TPH2 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.

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