SCHEMBL21847184

SCHEMBL21847184

COc1cncc(/C=N/NC(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.61
▸ NPC1 O15118 2/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ ROCK2 O75116 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ PRKACA P17612 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ NTRK3 Q16288 1/20 0.44
▸ PKN2 Q16513 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ STK17A Q9UEE5 1/20 0.44
▸ HPGD P15428 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL28885499 1.00 CYP1A2 (0.61) CYP1A2NPC1SMN1; SMN2KMT2APOLB
SCHEMBL29201275 0.82 RAB9A (0.62) CYP1A2NPC1SMN1; SMN2KMT2AMAPT
SCHEMBL21914766 0.82 RAB9A (0.62) CYP1A2NPC1SMN1; SMN2KMT2AMAPT
SCHEMBL4111704 0.78 CYP1A2 (0.68) CYP1A2NPC1SMN1; SMN2KMT2APOLB
SCHEMBL4111701 0.78 CYP1A2 (0.68) CYP1A2NPC1SMN1; SMN2KMT2APOLB
SCHEMBL2491390 0.76 CYP1A2 (1.00) CYP1A2NPC1SMN1; SMN2KMT2APOLB
SCHEMBL2491393 0.76 CYP1A2 (1.00) CYP1A2NPC1SMN1; SMN2KMT2APOLB
SCHEMBL31015289 0.76 MKNK2 (0.53) CYP1A2NPC1KMT2AMAPTALDH1A1
SCHEMBL5313268 0.73 MKNK2 (0.53) CYP1A2ROCK2MAP4K4PRKACAROCK1
SCHEMBL29201276 0.72 MKNK2 (0.40) CYP1A2NPC1ROCK2MAP4K4PRKACA

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
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

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 CYP1A2 3264/4885NPC1 998/4885SMN1; SMN2 3608/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 CYP1A2 3264/4885NPC1 998/4885SMN1; SMN2 3608/4885

“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.

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