SCHEMBL8317642

SCHEMBL8317642

COc1ccc(CN2N=C(c3ccccc3)c3cc(C)sc3-n3c(C)nnc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.40
GAA P10253 4/20 0.39
BRD4 O60885 3/20 0.39
GLA P06280 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
BRD2 P25440 2/20 0.36
BRD3 Q15059 2/20 0.36
HPGD P15428 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
HCRTR1 O43613 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL21847182 0.91 BRD4 (0.41) GAABRD4GLABRD2BRD3
SCHEMBL8318869 0.90 BRD4 (0.47) BRD4BRD2HPGDALDH1A1LMNA
SCHEMBL8317571 0.90 OPRK1 (0.45) OXTRGAABRD4GLACYP11B1
SCHEMBL8317069 0.88 BRD4 (0.41) GAABRD4BRD2BRD3HPGD
SCHEMBL8315565 0.87 BRD4 (0.38) BRD4CYP11B1CYP11B2NPSR1MAPK1
SCHEMBL8319973 0.86 BRD4 (0.39) OXTRGAABRD4GLAALDH1A1
SCHEMBL8317576 0.85 BRD4 (0.39) BRD4HPGDLMNA
SCHEMBL8318376 0.84 P2RX7 (0.39) BRD4
SCHEMBL8322696 0.84 BRD4 (0.39) BRD4RAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL8319404 0.84 BRD4 (0.47) OXTRGAABRD4GLACYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130367-A1 6H-THIENO[2,3-e][1,2,4]TRIAZOLO[3,4-c][1,2,4]TRIAZEPINE DERIVATIVE AYUMI PHARMACEUTICAL CORPORATION (JP) 2021-05-06 US claimed
EP-3640253-A1 6H-THIENO[2,3-E][1,2,4]TRIAZOLO[3,4-C][1,2,4]TRIAZEPINE DERIVATIVE AYUMI Pharmaceutical Corporation (JP) 2020-04-22 EP claimed
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP claimed
US-5807850-A Therapeutic agent for osteoporosis and triazepine compound JAPAN TOBACCO, INC. (JP) 1998-09-15 US claimed
EP-0792880-A1 OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND Japan Tobacco Inc. (JP) 1997-09-03 EP claimed
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative AYUMI PHARMACEUTICAL CORPORATION (JP) 2021-11-30 US disclosed
US-20210130367-A1 6H-THIENO[2,3-e][1,2,4]TRIAZOLO[3,4-c][1,2,4]TRIAZEPINE DERIVATIVE AYUMI PHARMACEUTICAL CORPORATION (JP) 2021-05-06 US disclosed
EP-3640253-A1 6H-THIENO[2,3-E][1,2,4]TRIAZOLO[3,4-C][1,2,4]TRIAZEPINE DERIVATIVE AYUMI Pharmaceutical Corporation (JP) 2020-04-22 EP disclosed
CN-1227555-A Cytokine production inhibitors triazepine compounds, and intermediates thereof JAPAN TOBACCO INC (JP) 1999-09-01 CN disclosed
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP disclosed
US-5807850-A Therapeutic agent for osteoporosis and triazepine compound JAPAN TOBACCO, INC. (JP) 1998-09-15 US disclosed
CN-1171788-A Therapeutic agent for osteoporosis and triaza * compound JAPAN TOBACCO INC (JP) 1998-01-28 CN disclosed
EP-0792880-A1 OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND Japan Tobacco Inc. (JP) 1997-09-03 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 (2 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-20210130367-A1 6H-THIENO[2,3-e][1,2,4]TRIAZOLO[3,4-c][1,2,4]TRIAZEPINE DERIVATIVE BRD4, BRD3, BRD2 OXTR 3276/4885GAA 4541/4885BRD4 1/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 OXTR 3276/4885GAA 4541/4885BRD4 1/4885

“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.