SCHEMBL19090561

SCHEMBL19090561

CCCCn1c(=O)[nH]c(=O)c2c1nc(COc1ccc(C3NC(C(=O)O)CS3)cc1)n2CC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.46
▸ ALDH1A1 P00352 9/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ S1PR3 Q99500 2/20 0.44
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ HSD17B10 Q99714 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ KDM4A O75164 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ UBE2N P61088 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
SCHEMBL21389517 0.87 KMT2A (0.47) HRH3ALDH1A1KDM4EALOX15S1PR3
SCHEMBL19090403 0.87 KMT2A (0.47) HRH3ALDH1A1KDM4EALOX15S1PR3
SCHEMBL19090392 0.83 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL23731020 0.75 HRH3 (0.46) HRH3ALDH1A1KDM4EALOX15S1PR3
SCHEMBL19090589 0.71 MAPT (0.49) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL19090586 0.70 KDM4E (0.49) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL19090590 0.70 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL19090581 0.70 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL19090588 0.69 TPH1 (0.47) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL19090391 0.69 MEN1 (0.45) ALDH1A1KDM4EMEN1KMT2ATDP1

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 HRH3 978/4885ALDH1A1 3631/4885KDM4E 276/4885
US-11225481-B2 Xanthine derivative inhibitors of BET proteins BET1, BRD4, BRD3 HRH3 978/4885ALDH1A1 3631/4885KDM4E 276/4885

“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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