SCHEMBL3202033

SCHEMBL3202033

Cc1c(C=O)sc2c1C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)O)c1nnc(C)n1-2

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.82
DNER Q8NFT8 2/20 0.69
BRD2 P25440 6/20 0.68
ADORA3 P0DMS8 1/20 0.67
TSPO P30536 1/20 0.67
BRDT Q58F21 6/20 0.64
BRD3 Q15059 3/20 0.64
CREBBP Q92793 2/20 0.64
HDAC3 O15379 1/20 0.64
JAK2 O60674 1/20 0.64
BRD1 O95696 1/20 0.64
CCL2 P13500 1/20 0.64
HDAC4 P56524 1/20 0.64
EP300 Q09472 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC2 Q92769 1/20 0.64
HDAC10 Q969S8 1/20 0.64
HDAC11 Q96DB2 1/20 0.64
HDAC8 Q9BY41 1/20 0.64

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
SCHEMBL873173 0.90 BRD4 (1.00) BRD4DNERBRD2ADORA3TSPO
SCHEMBL881274 0.90 BRD4 (1.00) BRD4DNERBRD2ADORA3TSPO
SCHEMBL7480681 0.90 BRD4 (1.00) BRD4DNERBRD2ADORA3TSPO
SCHEMBL23317926 0.90 BRD4 (0.83) BRD4DNERBRD2ADORA3TSPO
Hydrochloric Acid SCHEMBL15900115 0.90 BRD4 (0.98) BRD4DNERBRD2ADORA3TSPO
Hydrochloric Acid SCHEMBL15900132 0.90 BRD4 (0.98) BRD4DNERBRD2ADORA3TSPO
SCHEMBL20467035 0.89 BRD4 (0.82) BRD4DNERBRD2ADORA3TSPO
SCHEMBL3198847 0.88 BRD4 (0.81) BRD4DNERBRD2ADORA3TSPO
SCHEMBL21616144 0.85 BRD4 (0.60) BRD4DNERBRD2ADORA3TSPO
SCHEMBL23348815 0.85 BRD4 (0.60) BRD4DNERBRD2ADORA3TSPO

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 265/4885DNER 3109/4885BRD2 318/4885

“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.