SCHEMBL892145

SCHEMBL892145

N#Cc1ccc(C=Cc2nc[nH]c2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
FBP1 P09467 2/20 0.38
TTK P33981 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
HDAC2 Q92769 2/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
P4HB P07237 1/20 0.34
ALK Q9UM73 1/20 0.34
NR1H3 Q13133 1/20 0.33
AURKB Q96GD4 1/20 0.33
IP6K1 Q92551 1/20 0.33
IP6K3 Q96PC2 1/20 0.33

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
SCHEMBL892143 1.00 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ENPC1GLA
SCHEMBL891800 0.76 TAAR1 (0.68) ALDH1A1MAPTKDM4ENPC1GLA
SCHEMBL891798 0.76 TAAR1 (0.68) ALDH1A1MAPTKDM4ENPC1GLA
SCHEMBL17354777 0.75 FBP1 (0.43) ALDH1A1MAPTKDM4ENPC1GLA
SCHEMBL1260529 0.73 FBP1 (0.59) ALDH1A1MAPTKDM4EFBP1HDAC2
SCHEMBL21574805 0.73 FBP1 (0.59) ALDH1A1MAPTKDM4EFBP1HDAC2
SCHEMBL1687898 0.73 FBP1 (0.59) ALDH1A1MAPTKDM4EFBP1HDAC2
SCHEMBL13799049 0.73 FBP1 (0.59) ALDH1A1MAPTKDM4EFBP1HDAC2
SCHEMBL8699093 0.73 FBP1 (0.59) ALDH1A1MAPTKDM4EFBP1HDAC2
SCHEMBL1687911 0.73 FBP1 (0.59) ALDH1A1MAPTKDM4EFBP1HDAC2

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 ALDH1A1 74/4885MAPT 3259/4885KDM4E 645/4885

“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.