SCHEMBL4174236

SCHEMBL4174236

CCCn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ncc(C(C)(C)C)nc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.44
ADORA1 P30542 2/20 0.44
ADORA2B P29275 1/20 0.44
ADORA3 P0DMS8 3/20 0.44
MAPT P10636 2/20 0.42
P2RX3 P56373 4/20 0.41
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.40
UBE2N P61088 1/20 0.40
TP53 P04637 1/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL4182053 0.91 MAPT (0.44) ADORA2AADORA1ADORA2BADORA3MAPT
SCHEMBL4173503 0.80 TP53 (0.51) ADORA2AADORA1ADORA2BADORA3MAPT
SCHEMBL4175387 0.79 KDM4E (0.49) ADORA2AADORA1ADORA2BADORA3MAPT
SCHEMBL4180486 0.78 ADORA2A (0.50) ADORA2AADORA1ADORA2BADORA3MAPT
SCHEMBL4183803 0.76 ADORA3 (0.51) ADORA2AADORA1ADORA2BADORA3MAPT
SCHEMBL3233385 0.76 MAPT (0.54) ADORA2AADORA1ADORA2BADORA3MAPT
SCHEMBL4173690 0.75 ADORA3 (0.50) ADORA2AADORA1ADORA2BADORA3MAPT
SCHEMBL4169269 0.73 ADORA3 (0.46) ADORA2AADORA1ADORA2BADORA3MAPT
SCHEMBL4168727 0.72 UBE2N (0.48) ADORA3MAPTP2RX3RAB9ATSHR
SCHEMBL3232599 0.71 MAPT (0.56) ADORA2AADORA1ADORA2BADORA3MAPT

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 ADORA2A 375/4885ADORA1 244/4885ADORA2B 190/4885

“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.