SCHEMBL21847322

SCHEMBL21847322

O=C(c1ccc(Cl)cc1)c1ccsc1N=C=S

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NR4A1 P22736 1/20 0.41
SRD5A2 P31213 2/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 3/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
GLA P06280 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ALOX15 P16050 1/20 0.34

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
SCHEMBL21847174 0.77 ALDH1A1 (0.51) RAB9AMEN1KMT2ANR4A1SRD5A2
SCHEMBL4714140 0.76 MEN1 (0.40) MEN1KMT2ANR4A1MAPK1HPGD
SCHEMBL21847257 0.74 HPGD (0.40) RAB9AMEN1KMT2ASRD5A2MAPK1
SCHEMBL8318162 0.73 NR4A1 (0.54) RAB9AMEN1KMT2ANR4A1SRD5A2
SCHEMBL5505167 0.71 MEN1 (1.00) RAB9AMEN1KMT2ANR4A1SRD5A2
SCHEMBL3592637 0.71 KMT2A (0.44) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL21847220 0.69 NR4A1 (0.45) RAB9AMEN1KMT2ANR4A1SRD5A2
SCHEMBL7475833 0.68 RAB9A (0.59) RAB9AMEN1KMT2ANR4A1SRD5A2
SCHEMBL23320127 0.68 RAB9A (0.55) RAB9AMEN1KMT2ANR4A1SRD5A2
SCHEMBL11445577 0.65 S100B (0.58) RAB9AMEN1KMT2ANR4A1MAPK1

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 6 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-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
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
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 RAB9A 3214/4885MEN1 2870/4885KMT2A 43/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 RAB9A 3214/4885MEN1 2870/4885KMT2A 43/4885

“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.