SCHEMBL10168098

SCHEMBL10168098

CC(C)c1nc(-c2cccs2)cn1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSD17B10 Q99714 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDE10A Q9Y233 14/20 0.44
POLB P06746 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL12973890 0.78 MEN1 (0.53) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL2039989 0.73 PDE10A (0.52) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL10168099 0.73 PDE10A (0.42) ALDH1A1KDM4EKMT2AMAPTHPGD
SCHEMBL9911658 0.69 KDM4E (0.49) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL10168091 0.68 MEN1 (0.58) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL8257857 0.68 KDM4E (0.66) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL14189822 0.68 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL21398161 0.66 KDM4E (0.63) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL12427201 0.66 FYN (0.47) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL15426807 0.66 KDM4E (0.47) ALDH1A1KDM4EMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 ALDH1A1 74/4885KDM4E 645/4885MEN1 937/4885

“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.