SCHEMBL891890

SCHEMBL891890

C#CCn1nnc2c(C(=O)Nc3ccccc3S)ncn2c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 4/20 0.37
TP53 P04637 4/20 0.37
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
MDM2 Q00987 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PABPC1 P11940 1/20 0.35
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
EPHB3 P54753 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL892316 0.89 CA12 (0.39) TP53CA12CA1CA2CA9
SCHEMBL892642 0.88 HDAC1 (0.41) CA12CA1CA2CA9MEN1
SCHEMBL25434536 0.80 MEN1 (0.43) CA12CA1CA2CA9MEN1
SCHEMBL891971 0.79 CA12 (0.39) CA12CA1CA2CA9MEN1
SCHEMBL892211 0.78 MEN1 (0.47) CA12CA1CA2CA9MEN1
SCHEMBL2452822 0.77 MEN1 (0.59) CA12CA1CA2CA9MEN1
SCHEMBL892436 0.74 MEN1 (0.46) CA12CA1CA2CA9MEN1
SCHEMBL26321492 0.74 MEN1 (0.43) CA12CA1CA2CA9MEN1
SCHEMBL10209973 0.73 HPGD (0.34) CA12CA1CA2CA9MEN1
SCHEMBL891806 0.73 CA12 (0.42) TP53CA12CA1CA2CA9

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 MDM4 647/4885TP53 13/4885CA12 3097/4885

“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.