SCHEMBL2539940

SCHEMBL2539940

COc1cccc(Nc2ccc(C3=NCc4nnc(C)n4-c4sc(CO)c(C)c43)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.47
PTAFR P25105 7/20 0.39
OPRK1 P41145 1/20 0.37
PDE4D Q08499 1/20 0.37
MTNR1B P49286 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
MTNR1A P48039 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL2540698 0.89 BRD4 (0.48) BRD4PTAFROPRK1PDE4DSMN1; SMN2
SCHEMBL2537243 0.86 BRD4 (0.50) BRD4PTAFROPRK1PDE4DHPGD
SCHEMBL13113724 0.85 BRD4 (0.59) BRD4PTAFROPRK1PDE4DSMN1; SMN2
SCHEMBL2541409 0.81 BRD4 (0.51) BRD4PTAFROPRK1PDE4DHPGD
SCHEMBL2544545 0.78 BRD4 (0.51) BRD4PTAFROPRK1PDE4DHPGD
SCHEMBL2543097 0.77 BRD4 (0.46) BRD4PTAFROPRK1PDE4DHPGD
SCHEMBL2539664 0.77 BRD4 (0.54) BRD4PTAFROPRK1PDE4DHPGD
SCHEMBL2536453 0.75 BRD4 (0.58) BRD4PTAFR
SCHEMBL2536490 0.74 BRD4 (0.47) BRD4PTAFROPRK1PDE4DSMN1; SMN2
SCHEMBL2538074 0.74 BRD4 (0.45) BRD4PTAFR

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
EP-1887008-B1 THIENOTRIAZOLODIAZEPINE COMPOUND AND A MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2021-04-21 EP disclosed
US-8044042-B2 Thienotriazolodiazepine compound and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-25 US disclosed
US-20100041643-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-02-18 US disclosed
EP-1887008-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND A MEDICINAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-02-13 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 (1 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-20100041643-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND MEDICINAL USE THEREOF ICOS, CD4, CD2 BRD4 265/4885PTAFR 231/4885OPRK1 368/4885

“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.