SCHEMBL2540698

SCHEMBL2540698

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.48
PTAFR P25105 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
OPRK1 P41145 2/20 0.38
PDE4D Q08499 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
TSPO P30536 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GABRA1 P14867 1/20 0.37
CNR1 P21554 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37

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
SCHEMBL2539940 0.89 BRD4 (0.47) BRD4PTAFRSMN1; SMN2HPGDOPRK1
SCHEMBL2539664 0.88 BRD4 (0.54) BRD4PTAFRHPGDOPRK1PDE4D
SCHEMBL2543097 0.87 BRD4 (0.46) BRD4PTAFRHPGDOPRK1PDE4D
SCHEMBL2536453 0.86 BRD4 (0.58) BRD4PTAFR
SCHEMBL2538074 0.85 BRD4 (0.45) BRD4PTAFRADORA3TSPO
SCHEMBL2536490 0.85 BRD4 (0.47) BRD4PTAFRSMN1; SMN2HPGDOPRK1
SCHEMBL9042221 0.85 BRD4 (0.42) BRD4PTAFRSMN1; SMN2OPRK1PDE4D
SCHEMBL2539527 0.83 BRD4 (0.44) BRD4PTAFRSMN1; SMN2OPRK1PDE4D
SCHEMBL2545028 0.83 BRD4 (0.57) BRD4PTAFR
SCHEMBL2536537 0.81 BRD4 (0.45) BRD4PTAFROPRK1PDE4D

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 231/4885SMN1; SMN2 3685/4885

“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.