SCHEMBL2539664

SCHEMBL2539664

Cc1sc2c(c1C)C(c1ccc(Nc3ccccc3)cc1)=NCc1nnc(C)n1-2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.54
GABRA1 P14867 3/20 0.44
GABRA5 P31644 3/20 0.44
GABRA2 P47869 3/20 0.44
GABRB2 P47870 3/20 0.44
OPRK1 P41145 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
CNR1 P21554 1/20 0.44
GABRA3 P34903 1/20 0.44
PTAFR P25105 5/20 0.43
PDE4D Q08499 1/20 0.41
BRD2 P25440 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
SCHEMBL2538074 0.91 BRD4 (0.45) BRD4PTAFRBRD2
SCHEMBL2545028 0.90 BRD4 (0.57) BRD4PTAFRBRD2
SCHEMBL9038947 0.90 BRD4 (0.50) BRD4GABRA1GABRA5GABRA2GABRB2
SCHEMBL2543097 0.89 BRD4 (0.46) BRD4GABRA1GABRA5GABRA2GABRB2
SCHEMBL2537873 0.88 BRD4 (0.44) BRD4GABRA1GABRA5GABRA2GABRB2
SCHEMBL2541825 0.88 BRD4 (0.42) BRD4GABRA1GABRA5GABRA2GABRB2
SCHEMBL2536453 0.88 BRD4 (0.58) BRD4PTAFR
SCHEMBL2540698 0.88 BRD4 (0.48) BRD4GABRA1GABRA5GABRA2GABRB2
SCHEMBL2539824 0.87 BRD4 (0.58) BRD4GABRA1GABRA5GABRA2GABRB2
SCHEMBL2536490 0.86 BRD4 (0.47) BRD4GABRA1GABRA5GABRA2GABRB2

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 265/4885GABRA1 83/4885GABRA5 54/4885

“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.