SCHEMBL891935

SCHEMBL891935

COCn1nnc2c(C(=O)O)ncn2c1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
PABPC1 P11940 1/20 0.50
KMT2A Q03164 1/20 0.50
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
NPC1 O15118 1/20 0.38
HCAR3 P49019 1/20 0.32
ADORA2B P29275 1/20 0.32
PTGES O14684 4/20 0.32
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
HPGD P15428 1/20 0.31
CYP1A2 P05177 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL892380 0.88 MEN1 (0.63) MEN1PABPC1KMT2ACA12CA1
SCHEMBL892341 0.85 MEN1 (0.49) MEN1PABPC1KMT2ACA12CA1
SCHEMBL23588609 0.85 MEN1 (0.54) MEN1PABPC1KMT2ACA12CA1
SCHEMBL2454967 0.84 CA12 (0.44) MEN1PABPC1KMT2ACA12CA1
SCHEMBL892370 0.82 KMT2A (0.45) MEN1PABPC1KMT2ACA12CA1
SCHEMBL891953 0.82 MEN1 (0.51) MEN1PABPC1KMT2ACA12CA1
SCHEMBL10644355 0.80 MEN1 (0.51) MEN1PABPC1KMT2ACA12CA1
SCHEMBL25436251 0.79 MEN1 (0.48) MEN1PABPC1KMT2ACA12CA1
SCHEMBL892211 0.78 MEN1 (0.47) MEN1PABPC1KMT2ACA12CA1
SCHEMBL891795 0.78 CA12 (0.43) MEN1PABPC1KMT2ACA12CA1

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
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
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 MEN1 937/4885PABPC1 3125/4885KMT2A 584/4885

“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.