SCHEMBL19090322

SCHEMBL19090322

CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nc3nc(C)ccc3o1)n2CC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.51
▸ BRD2 P25440 2/20 0.51
▸ BRD3 Q15059 2/20 0.51
▸ BRDT Q58F21 1/20 0.51
▸ TSHR P16473 2/20 0.47
▸ ALDH1A1 P00352 8/20 0.47
▸ KDM4E B2RXH2 7/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ MAPT P10636 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ KDM4A O75164 1/20 0.43

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
SCHEMBL23730764 0.82 BRD4 (0.47) BRD4BRD2BRD3BRDTTSHR
SCHEMBL21389571 0.81 BRD4 (0.46) BRD4BRD2BRD3BRDTTSHR
SCHEMBL19090321 0.81 BRD4 (0.46) BRD4BRD2BRD3BRDTTSHR
SCHEMBL19090319 0.79 BRD4 (0.46) BRD4BRD2BRD3BRDTTSHR
SCHEMBL21389562 0.79 MAPT (0.45) BRD4BRD2BRD3BRDTTSHR
SCHEMBL19090310 0.73 BRD4 (0.53) BRD4BRD2BRD3BRDTTSHR
SCHEMBL19090463 0.73 BRD4 (0.59) BRD4BRD2BRD3BRDTTSHR
SCHEMBL19090210 0.73 TPH2 (0.57) BRD4BRD2BRD3BRDTTSHR
SCHEMBL19090211 0.73 ALDH1A1 (0.56) BRD4BRD2BRD3BRDTTSHR
SCHEMBL21389546 0.72 BRD4 (0.72) BRD4BRD2BRD3BRDTTSHR

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 BRD4 2/4885BRD2 6/4885BRD3 3/4885
US-11225481-B2 Xanthine derivative inhibitors of BET proteins BET1, BRD4, BRD3 BRD4 2/4885BRD2 6/4885BRD3 3/4885

“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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