SCHEMBL21591798

SCHEMBL21591798

CCOC(=O)CN1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)N=C1SC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
BRD4 O60885 13/20 0.37
ADORA3 P0DMS8 1/20 0.37
TSPO P30536 1/20 0.37
ENPP2 Q13822 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BRD2 P25440 3/20 0.36
BRD3 Q15059 3/20 0.36
BRDT Q58F21 3/20 0.36
CREBBP Q92793 2/20 0.36
HDAC3 O15379 1/20 0.36
JAK2 O60674 1/20 0.36
BRD1 O95696 1/20 0.36
CCL2 P13500 1/20 0.36
HDAC4 P56524 1/20 0.36
EP300 Q09472 1/20 0.36
HDAC1 Q13547 1/20 0.36
DNER Q8NFT8 1/20 0.36

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
SCHEMBL28529850 0.85 TSHR (0.39) TSHRALDH1A1MAPK1BRD4ADORA3
SCHEMBL21591799 0.77 BRD4 (0.33) BRD4ADORA3TSPOBRD2BRD3
SCHEMBL21591796 0.77 TSHR (0.41) TSHRALDH1A1MAPK1BRD4ADORA3
SCHEMBL21914871 0.77 BRD4 (0.36) BRD4ADORA3TSPOBRD2BRD3
SCHEMBL21594283 0.75 BRD4 (0.54) BRD4ADORA3TSPOBRD2BRD3
SCHEMBL8319706 0.73 KDM4E (0.35) ALDH1A1SMN1; SMN2CYP1A2GAACYP2C9
SCHEMBL22252911 0.72 BRD4 (0.38) TSHRALDH1A1MAPK1BRD4ADORA3
SCHEMBL21915465 0.72 ALDH1A1 (0.37) ALDH1A1BRD4SMN1; SMN2GAA
SCHEMBL21847201 0.67 CCNE2 (0.40) ALDH1A1BRD4GAA
SCHEMBL21847251 0.67 RGS12 (0.34) ALDH1A1BRD4BRD2BRD3BRDT

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 7 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
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-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
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 TSHR 3124/4885ALDH1A1 4080/4885MAPK1 3490/4885
US-20210101909-A1 PREPARATION OF CONDENSED TRIAZEPINE DERIVATIVES AND THEIR USE AS BET INHIBITORS BET1, EP300, BICRA TSHR 3124/4885ALDH1A1 4080/4885MAPK1 3490/4885
US-10906917-B2 Preparation of condensed triazepine derivatives and their use as BET inhibitors BET1, EP300, BICRA TSHR 3124/4885ALDH1A1 4080/4885MAPK1 3490/4885
US-20200231598-A1 PREPARATION OF CONDENSED TRIAZEPINE DERIVATIVES AND THEIR USE AS BET INHIBITORS BET1, EP300, BICRA TSHR 3124/4885ALDH1A1 4080/4885MAPK1 3490/4885

“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.