SCHEMBL19090391

SCHEMBL19090391

CCCCn1c(=O)[nH]c(=O)c2c1nc(COc1nc3cc(C(=O)O)ccc3[nH]1)n2CC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ GAA P10253 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ BRD4 O60885 2/20 0.41
▸ BRD2 P25440 2/20 0.41
▸ BRD3 Q15059 2/20 0.41
▸ BRDT Q58F21 2/20 0.41
▸ TPH1 P17752 4/20 0.41
▸ TPH2 Q8IWU9 4/20 0.41
▸ XBP1 P17861 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
SCHEMBL21389560 0.86 MEN1 (0.51) MEN1KMT2AALDH1A1HPGDBRD4
SCHEMBL19090588 0.78 TPH1 (0.47) MEN1KMT2AGAANPSR1ALDH1A1
SCHEMBL21389571 0.75 BRD4 (0.46) MEN1KMT2AGAANPSR1ALDH1A1
SCHEMBL19090319 0.74 BRD4 (0.46) MEN1KMT2AGAANPSR1ALDH1A1
SCHEMBL19090589 0.73 MAPT (0.49) MEN1KMT2AGAANPSR1ALDH1A1
SCHEMBL23731232 0.72 ALDH1A1 (0.43) MEN1KMT2AGAANPSR1ALDH1A1
SCHEMBL19090320 0.72 ALDH1A1 (0.43) MEN1KMT2AGAANPSR1ALDH1A1
SCHEMBL19090399 0.72 MEN1 (0.42) MEN1KMT2AGAANPSR1ALDH1A1
SCHEMBL19066314 0.71 MEN1 (0.65) MEN1KMT2AGAANPSR1ALDH1A1
SCHEMBL21389549 0.70 BRD4 (0.47) MEN1KMT2AGAANPSR1ALDH1A1

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 MEN1 3816/4885KMT2A 543/4885GAA 2465/4885
US-11225481-B2 Xanthine derivative inhibitors of BET proteins BET1, BRD4, BRD3 MEN1 3816/4885KMT2A 543/4885GAA 2465/4885

“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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