SCHEMBL4175387

SCHEMBL4175387

CCCn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2nc(C)c(C)nc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ADORA3 P0DMS8 1/20 0.48
MAPT P10636 3/20 0.47
ADORA2A P29274 2/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
RAB9A P51151 1/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.43
P2RX3 P56373 2/20 0.42
ATM Q13315 1/20 0.42
UBE2N P61088 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4180486 0.86 ADORA2A (0.50) KDM4EADORA3MAPTADORA2AADORA2B
SCHEMBL4183803 0.84 ADORA3 (0.51) KDM4EADORA3MAPTADORA2AADORA2B
SCHEMBL4173690 0.83 ADORA3 (0.50) KDM4EADORA3MAPTADORA2AADORA2B
SCHEMBL4169269 0.81 ADORA3 (0.46) KDM4EADORA3MAPTADORA2AADORA2B
SCHEMBL4173503 0.81 TP53 (0.51) ADORA3MAPTADORA2AADORA2BADORA1
SCHEMBL4182053 0.79 MAPT (0.44) KDM4EADORA3MAPTADORA2AADORA2B
SCHEMBL4174236 0.79 ADORA2A (0.44) KDM4EADORA3MAPTADORA2AADORA2B
SCHEMBL3232599 0.79 MAPT (0.56) ADORA3MAPTADORA2AADORA2BADORA1
SCHEMBL13940893 0.75 ADORA2B (0.60) KDM4EADORA3ADORA2AADORA2BADORA1
SCHEMBL3234534 0.75 MAPT (0.55) ADORA3MAPTADORA2AADORA2BADORA1

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 6 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

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 322/4885MAPT 3675/4885

“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.