SCHEMBL891849

SCHEMBL891849

Cn1nnc2c(C(=O)NNC(=O)c3ccccc3)ncn2c1=O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
PABPC1 P11940 1/20 0.59
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA9 Q16790 3/20 0.53
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
MAPT P10636 1/20 0.37
KDR P35968 1/20 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
SCHEMBL891749 0.84 MEN1 (0.60) MEN1KMT2APABPC1CA12CA1
SCHEMBL892105 0.84 CA12 (0.57) MEN1KMT2APABPC1CA12CA1
SCHEMBL891866 0.83 CA12 (0.40) MEN1KMT2APABPC1CA12CA1
SCHEMBL892615 0.81 MEN1 (0.56) MEN1KMT2APABPC1CA12CA1
SCHEMBL891881 0.80 MEN1 (0.69) MEN1KMT2APABPC1CA12CA1
SCHEMBL7876576 0.80 MEN1 (0.69) MEN1KMT2APABPC1CA12CA1
SCHEMBL892401 0.80 MEN1 (0.77) MEN1KMT2APABPC1CA12CA1
SCHEMBL892156 0.80 CA12 (0.58) MEN1KMT2APABPC1CA12CA1
SCHEMBL15788844 0.79 KMT2A (0.72) MEN1KMT2APABPC1CA12CA1
SCHEMBL24230445 0.79 MEN1 (0.56) MEN1KMT2APABPC1CA12CA1

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 5 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
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
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 937/4885KMT2A 584/4885PABPC1 3125/4885

“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.