SCHEMBL131464

SCHEMBL131464

[CH2]c1cccnc1OCC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
SLC6A2 P23975 3/20 0.41
NPC1 O15118 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.40
SLC13A5 Q86YT5 2/20 0.39
SLC6A4 P31645 2/20 0.39
LRRK2 Q5S007 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL129522 0.84 HPGD (0.41) HPGDSMN1; SMN2L3MBTL1NPC1ALDH1A1
SCHEMBL129116 0.78
SCHEMBL21859753 0.77 HPGD (0.46) HPGDSMN1; SMN2L3MBTL1SLC6A2NPC1
SCHEMBL1697616 0.77 HPGD (0.55) HPGDSMN1; SMN2L3MBTL1SLC6A2NPC1
SCHEMBL31078868 0.77 HPGD (0.55) HPGDSMN1; SMN2L3MBTL1SLC6A2NPC1
SCHEMBL131465 0.77 PDE1A (0.46) HPGDSMN1; SMN2L3MBTL1SLC6A2NPC1
SCHEMBL128656 0.76 SLC13A5 (0.47) HPGDSMN1; SMN2L3MBTL1SLC6A2NPC1
SCHEMBL1842773 0.75 HPGD (0.53) HPGDSMN1; SMN2L3MBTL1SLC6A2NPC1
SCHEMBL12948866 0.75 SLC13A5 (0.52) HPGDSMN1; SMN2L3MBTL1NPC1TSHR
SCHEMBL1480240 0.75 HPGD (0.44) HPGDSMN1; SMN2L3MBTL1SLC6A2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232994-A1 Bicyclic thiophene derivatives and combinatorial libraries thereof LION BIOSCIENCE AG (DE) 2003-12-18 US claimed
CN-110914280-B 6H-thieno [2,3-e ] [1,2,4] triazolo [3,4-c ] [1,2,4] triazab derivatives 阿尤米制药公司 2024-05-03 CN 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
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-110914280-A 6H-thieno [2,3-e ] [1,2,4] triazolo [3,4-c ] [1,2,4] triaza derivatives 阿尤米制药公司 2020-03-24 CN disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
US-20030232994-A1 Bicyclic thiophene derivatives and combinatorial libraries thereof LION BIOSCIENCE AG (DE) 2003-12-18 US 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-20210130367-A1 6H-THIENO[2,3-e][1,2,4]TRIAZOLO[3,4-c][1,2,4]TRIAZEPINE DERIVATIVE BRD4, BRD3, BRD2 HPGD 3500/4885SMN1; SMN2 3608/4885L3MBTL1 927/4885
US-20030232994-A1 Bicyclic thiophene derivatives and combinatorial libraries thereof CXCR2, BICRA, CXCR1 HPGD 3319/4885SMN1; SMN2 4658/4885L3MBTL1 3078/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 HPGD 3500/4885SMN1; SMN2 3608/4885L3MBTL1 927/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 HPGD 450/4885SMN1; SMN2 4613/4885L3MBTL1 2482/4885

“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.