SCHEMBL892525

SCHEMBL892525

Nc1[nH]cnc1/C=C/c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
HCAR2 Q8TDS4 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 5/20 0.37
PTGS1 P23219 2/20 0.37
ABCB11 O95342 1/20 0.37
CHRM2 P08172 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
NPC1 O15118 4/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A1 P04798 2/20 0.36
CYP1A2 P05177 2/20 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
SCHEMBL892527 1.00 GRM4 (0.48) GRM4SMN1; SMN2HTTMAPTKMT2A
SCHEMBL892267 0.75 TAAR1 (0.62) GRM4SMN1; SMN2HTTMAPTKMT2A
SCHEMBL892269 0.75 TAAR1 (0.62) GRM4SMN1; SMN2HTTMAPTKMT2A
SCHEMBL9000640 0.73 GRM4 (0.51) GRM4SMN1; SMN2HTTMAPTKMT2A
SCHEMBL9000635 0.73 GRM4 (0.51) GRM4SMN1; SMN2HTTMAPTKMT2A
SCHEMBL3089611 0.72 HCAR2 (0.60) GRM4SMN1; SMN2HTTMAPTKMT2A
SCHEMBL1801877 0.72 HCAR2 (0.60) GRM4SMN1; SMN2HTTMAPTKMT2A
SCHEMBL12018827 0.72 HCAR2 (0.60) GRM4SMN1; SMN2HTTMAPTKMT2A
SCHEMBL2463734 0.70 POLB (0.43) GRM4SMN1; SMN2HTTMAPTKMT2A
SCHEMBL2463732 0.70 POLB (0.43) GRM4SMN1; SMN2HTTMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445915-B1 3-SUBSTITUTED-8-SUBSTITUTED-3H IMIDAZO[5,1-D][1,2,3,5-TETRAZIN-4-ONE COMPOUNDS AND THEIR USE PHARMINOX LTD (GB) 2016-04-20 EP disclosed
EP-2445915-B1 3-SUBSTITUTED-8-SUBSTITUTED-3H IMIDAZO[5,1-D][1,2,3,5-TETRAZIN-4-ONE COMPOUNDS AND THEIR USE PHARMINOX LTD (GB) 2016-04-20 EP disclosed
US-9024018-B2 3-substituted-8-substituted-3H-imidazo[5,1-d][1,2,3,5]tetrazin-4-one compounds and their use PHARMINOX LIMITED (GB) 2015-05-05 US disclosed
US-9024018-B2 3-substituted-8-substituted-3H-imidazo[5,1-d][1,2,3,5]tetrazin-4-one compounds and their use PHARMINOX LIMITED (GB) 2015-05-05 US disclosed
US-9024018-B2 3-substituted-8-substituted-3H-imidazo[5,1-d][1,2,3,5]tetrazin-4-one compounds and their use PHARMINOX LIMITED (GB) 2015-05-05 US disclosed
CN-102803264-A 3-substituted-8-substituted-3h imidazo[5,1-d][1,2,3,5-tetrazin-4-one compounds and their use PHARMINOX LTD 2012-11-28 CN disclosed
EP-2445915-A1 3-SUBSTITUTED-8-SUBSTITUTED-3H IMIDAZO[5,1-D][1,2,3,5-TETRAZIN-4-ONE COMPOUNDS AND THEIR USE Pharminox Limited (GB) 2012-05-02 EP disclosed
US-20120083513-A1 3-Substituted-8-Substituted-3H-Imidazo[5,1-d][1,2,3,5]tetrazin-4-one Compounds and Their Use PHARMINOX LIMITED (GB) 2012-04-05 US disclosed
US-20120083513-A1 3-Substituted-8-Substituted-3H-Imidazo[5,1-d][1,2,3,5]tetrazin-4-one Compounds and Their Use PHARMINOX LIMITED (GB) 2012-04-05 US disclosed
US-20120083513-A1 3-Substituted-8-Substituted-3H-Imidazo[5,1-d][1,2,3,5]tetrazin-4-one Compounds and Their Use PHARMINOX LIMITED (GB) 2012-04-05 US disclosed
WO-2010149968-A1 3-SUBSTITUTED-8-SUBSTITUTED-3H IMIDAZO[5,1-D][1,2,3,5-TETRAZIN-4-ONE COMPOUNDS AND THEIR USE PHARMINOX LIMITED (GB) 2010-12-29 WO disclosed
WO-2010149968-A1 3-SUBSTITUTED-8-SUBSTITUTED-3H IMIDAZO[5,1-D][1,2,3,5-TETRAZIN-4-ONE COMPOUNDS AND THEIR USE PHARMINOX LIMITED (GB) 2010-12-29 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 (1 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-20120083513-A1 3-Substituted-8-Substituted-3H-Imidazo[5,1-d][1,2,3,5]tetrazin-4-one Compounds and Their Use MKI67, CCNA1, CCNI GRM4 4086/4885SMN1; SMN2 1575/4885HTT 2497/4885

“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.