SCHEMBL21591799

SCHEMBL21591799

CSC1=Nc2sc(C)c(C)c2C(c2ccc(Cl)cc2)=NN1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 19/20 0.33
DNER Q8NFT8 2/20 0.33
ADORA3 P0DMS8 1/20 0.32
TSPO P30536 1/20 0.32
BRD2 P25440 4/20 0.31
BRD3 Q15059 4/20 0.31
BRDT Q58F21 4/20 0.31
HDAC3 O15379 1/20 0.31
JAK2 O60674 1/20 0.31
BRD1 O95696 1/20 0.31
CCL2 P13500 1/20 0.31
HDAC4 P56524 1/20 0.31
EP300 Q09472 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
CREBBP Q92793 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL21914871 0.85 BRD4 (0.36) BRD4DNERADORA3TSPOBRD2
SCHEMBL21591798 0.77 TSHR (0.39) BRD4DNERADORA3TSPOBRD2
SCHEMBL21591797 0.69 BRD4 (0.34) BRD4DNERADORA3TSPOBRD2
SCHEMBL21594280 0.68 BRD4 (0.53) BRD4DNERADORA3TSPOBRD2
SCHEMBL21915465 0.67 ALDH1A1 (0.37) BRD4
SCHEMBL21847307 0.67 P2RX7 (0.43) BRD4
SCHEMBL25882842 0.67 BRD4 (0.45) BRD4DNERADORA3TSPOBRD2
SCHEMBL21847266 0.65 RAB9A (0.39)
SCHEMBL28529850 0.64 TSHR (0.39) BRD4DNERADORA3TSPOBRD2
SCHEMBL8320823 0.63 HTT (0.33) BRD4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708374-B2 Preparation of condensed triazepine derivatives and their use as BET inhibitors Worg Pharmaceuticals (Zhejiang) Co., Ltd. (CN) 2023-07-25 US disclosed
US-11708374-B2 Preparation of condensed triazepine derivatives and their use as BET inhibitors Worg Pharmaceuticals (Zhejiang) Co., Ltd. (CN) 2023-07-25 US disclosed
US-11708374-B2 Preparation of condensed triazepine derivatives and their use as BET inhibitors Worg Pharmaceuticals (Zhejiang) Co., Ltd. (CN) 2023-07-25 US disclosed
EP-3806860-A1 PREPARATION OF CONDENSED TRIAZEPINE DERIVATIVES AND THEIR USE AS BET INHIBITORS Dybly AG (CH) 2021-04-21 EP disclosed
US-20210101909-A1 PREPARATION OF CONDENSED TRIAZEPINE DERIVATIVES AND THEIR USE AS BET INHIBITORS Worg Pharmaceuticals (Zhejiang) Co., Ltd. (CN) 2021-04-08 US disclosed
US-20210101909-A1 PREPARATION OF CONDENSED TRIAZEPINE DERIVATIVES AND THEIR USE AS BET INHIBITORS Worg Pharmaceuticals (Zhejiang) Co., Ltd. (CN) 2021-04-08 US disclosed
US-10906917-B2 Preparation of condensed triazepine derivatives and their use as BET inhibitors DYBLY AG (CH) 2021-02-02 US disclosed
US-10906917-B2 Preparation of condensed triazepine derivatives and their use as BET inhibitors DYBLY AG (CH) 2021-02-02 US disclosed
US-20200231598-A1 PREPARATION OF CONDENSED TRIAZEPINE DERIVATIVES AND THEIR USE AS BET INHIBITORS Worg Pharmaceuticals (Zhejiang) Co., Ltd. (CN) 2020-07-23 US disclosed
US-20200231598-A1 PREPARATION OF CONDENSED TRIAZEPINE DERIVATIVES AND THEIR USE AS BET INHIBITORS Worg Pharmaceuticals (Zhejiang) Co., Ltd. (CN) 2020-07-23 US disclosed
WO-2019238557-A1 PREPARATION OF CONDENSED TRIAZEPINE DERIVATIVES AND THEIR USE AS BET INHIBITORS DYBLY AG (CH) 2019-12-19 WO disclosed
WO-2019238557-A1 PREPARATION OF CONDENSED TRIAZEPINE DERIVATIVES AND THEIR USE AS BET INHIBITORS DYBLY AG (CH) 2019-12-19 WO 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 (4 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-11708374-B2 Preparation of condensed triazepine derivatives and their use as BET inhibitors BET1, EP300, BICRA BRD4 4/4885DNER 1399/4885ADORA3 4536/4885
US-20210101909-A1 PREPARATION OF CONDENSED TRIAZEPINE DERIVATIVES AND THEIR USE AS BET INHIBITORS BET1, EP300, BICRA BRD4 4/4885DNER 1399/4885ADORA3 4536/4885
US-10906917-B2 Preparation of condensed triazepine derivatives and their use as BET inhibitors BET1, EP300, BICRA BRD4 4/4885DNER 1399/4885ADORA3 4536/4885
US-20200231598-A1 PREPARATION OF CONDENSED TRIAZEPINE DERIVATIVES AND THEIR USE AS BET INHIBITORS BET1, EP300, BICRA BRD4 4/4885DNER 1399/4885ADORA3 4536/4885

“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.