SCHEMBL3215413

SCHEMBL3215413

Cc1sc2c(c1C)C(c1ccc(NCCc3ccccn3)cc1)=N[C@@H](CC(=O)O)c1nnc(C)n1-2

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.67
BRD2 P25440 5/20 0.66
ADORA3 P0DMS8 1/20 0.57
TSPO P30536 1/20 0.57
BRD3 Q15059 1/20 0.57
DNER Q8NFT8 1/20 0.57
BRDT Q58F21 1/20 0.56

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
SCHEMBL3201391 0.91 BRD4 (0.73) BRD4BRD2ADORA3TSPOBRD3
SCHEMBL3200903 0.88 BRD4 (0.71) BRD4BRD2ADORA3TSPOBRD3
SCHEMBL3209418 0.88 BRD4 (0.70) BRD4BRD2ADORA3TSPOBRD3
SCHEMBL3198928 0.87 BRD4 (0.65) BRD4BRD2BRD3BRDT
SCHEMBL3196859 0.87 BRD4 (0.68) BRD4BRD2ADORA3TSPOBRD3
SCHEMBL3204721 0.87 BRD4 (0.69) BRD4BRD2ADORA3TSPOBRD3
SCHEMBL3189663 0.86 BRD4 (0.72) BRD4BRD2ADORA3TSPOBRD3
SCHEMBL2543605 0.86 BRD4 (0.86) BRD4BRD2ADORA3TSPOBRD3
SCHEMBL2899729 0.86 BRD4 (0.85) BRD4BRD2ADORA3TSPOBRD3
SCHEMBL3200668 0.86 BRD4 (0.82) BRD4BRD2ADORA3TSPOBRD3

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 3 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-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 265/4885BRD2 318/4885ADORA3 76/4885

“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.