SCHEMBL4167289

SCHEMBL4167289

O=c1c2nccnc2n(Cc2ccccc2)c(=O)n1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
ADORA3 P0DMS8 2/20 0.50
KDM4A O75164 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ADORA2A P29274 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
TP53 P04637 1/20 0.48
ADORA2B P29275 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
THRB P10828 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46

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
SCHEMBL4186155 0.93 TP53 (0.58) KDM4EKDM4AALDH1A1HPGDTSHR
SCHEMBL4171474 0.86 TP53 (0.60) KDM4EKDM4AALDH1A1HPGDTSHR
SCHEMBL4174618 0.86 TP53 (0.51) KDM4EKDM4AALDH1A1HPGDTSHR
SCHEMBL4171721 0.83 TP53 (0.51) KDM4EKDM4AALDH1A1HPGDTSHR
SCHEMBL20582836 0.79 PDE1B (0.58)
SCHEMBL4173503 0.77 TP53 (0.51) ADORA3TSHRADORA2AMAPTTP53
SCHEMBL4171480 0.77 MAPT (0.56) KDM4EADORA3ALDH1A1NPSR1KMT2A
SCHEMBL10775010 0.77 ADORA3 (0.52) KDM4EADORA3KDM4AALDH1A1HPGD
SCHEMBL4181523 0.76 UBE2N (0.49) KDM4EALDH1A1TSHRHTTNPSR1
SCHEMBL8985073 0.75 GSK3B (0.67) KDM4EALDH1A1HPGDL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088439-A1 Diazinane Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
WO-2009041905-A1 PTERIDINE COMPOUNDS HAVING ACTIVITY ON THE GABA- RECEPTORS ASTRAZENECA AB (SE) 2009-04-02 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-20090088439-A1 Diazinane Compounds GABRB1, GRPR, GIPR KDM4E 3842/4885ADORA3 322/4885KDM4A 3739/4885

“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.