SCHEMBL4188895

SCHEMBL4188895

O=c1c2nccnc2n(CC2CCCCC2)c(=O)n1Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
ADORA3 P0DMS8 2/20 0.44
THRB P10828 1/20 0.42
PDE5A O76074 4/20 0.41
PDE4A P27815 4/20 0.41
PDE4B Q07343 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
UBE2N P61088 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
P2RX3 P56373 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
ADRA1B P35368 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL4171474 0.84 TP53 (0.60) TP53THRBUBE2NLMNAMAPT
SCHEMBL4186155 0.79 TP53 (0.58) TP53THRBUBE2NMAPTHTT
SCHEMBL4173503 0.78 TP53 (0.51) TP53ADORA3THRBUBE2NLMNA
SCHEMBL4181523 0.76 UBE2N (0.49) TP53THRBUBE2NLMNAMAPT
SCHEMBL4174618 0.75 TP53 (0.51) TP53THRBUBE2NMAPTHTT
SCHEMBL4171480 0.75 MAPT (0.56) TP53ADORA3THRBUBE2NLMNA
SCHEMBL13888992 0.75 UBE2N (0.48) TP53THRBUBE2NLMNAMAPT
SCHEMBL4168727 0.75 UBE2N (0.48) TP53ADORA3THRBUBE2NCTSL
SCHEMBL3225873 0.75 LMNA (0.53) ADORA3PDE5APDE4APDE4BPDE4C
SCHEMBL4171661 0.73 TP53 (0.46) TP53THRBUBE2NMAPTP2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088439-A1 Diazinane Compounds ASTRAZENECA AB (SE) 2009-04-02 US claimed
WO-2009041905-A1 PTERIDINE COMPOUNDS HAVING ACTIVITY ON THE GABA- RECEPTORS ASTRAZENECA AB (SE) 2009-04-02 WO claimed
US-20090088439-A1 Diazinane Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
US-20090088439-A1 Diazinane Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
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
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 TP53 4809/4885ADORA3 322/4885THRB 619/4885

“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.