SCHEMBL2660726

SCHEMBL2660726

CCCN1Cc2nc3c(-c4cccc(C#N)c4)cccc3c(N)c2C1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 1/20 0.38
▸ HRH4 Q9H3N8 2/20 0.38
▸ ADORA2A P29274 2/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ BACE1 P56817 3/20 0.36
▸ PGR P06401 1/20 0.36
▸ USP7 Q93009 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ XDH P47989 1/20 0.35
▸ BACE2 Q9Y5Z0 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ ADORA2B P29275 2/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34

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
SCHEMBL2660653 0.91 HRH4 (0.47) HRH4HRH3LMNAPARP1HTT
SCHEMBL2660661 0.90 BACE1 (0.36) HRH4ADORA2AADORA1BRD4BACE1
SCHEMBL2660678 0.87 GABRG2 (0.45) ENPP1HRH4BACE1LMNAPARP1
SCHEMBL2660713 0.86 HRH4 (0.42) ENPP1HRH4ADORA2AADORA1LMNA
SCHEMBL2661370 0.86 TLR8 (0.36) HRH4ADORA1BACE1USP7LMNA
SCHEMBL4922557 0.84 LMNA (0.35) HRH4BRD4LMNAPARP1HTT
SCHEMBL2656723 0.84 GABRG2 (0.44) ENPP1LMNAPARP1HTTPARP2
SCHEMBL2660707 0.82 CRHR1 (0.41) ENPP1HRH4LMNAPARP1HTT
SCHEMBL2655841 0.82 DHPS (0.40) ADORA2ABACE1GRM2LMNAPARP1
SCHEMBL4920722 0.81 KDM4E (0.43) ENPP1HRH4ADORA2AADORA1BACE1

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
EP-2176263-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS AstraZeneca AB (SE) 2010-04-21 — — EP claimed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US claimed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 — — WO claimed
EP-2176263-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS AstraZeneca AB (SE) 2010-04-21 — — EP disclosed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US disclosed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 — — 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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF ENPP1 3350/4885HRH4 167/4885ADORA2A 440/4885

“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.

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