SCHEMBL2660653

SCHEMBL2660653

CCCN1Cc2nc3c(-c4ccc(C#N)cc4)cccc3c(N)c2C1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.40
▸ KDM4A O75164 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ CNR2 P34972 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ FABP1 P07148 1/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ PDE6C P51160 1/20 0.34
▸ CYP11B2 P19099 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ AR P10275 1/20 0.32

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
SCHEMBL2660726 0.91 ENPP1 (0.38) HRH4HRH3LMNAPARP1HTT
SCHEMBL2660661 0.88 BACE1 (0.36) HRH4LMNAPARP1HTTPARP2
SCHEMBL2660707 0.88 CRHR1 (0.41) HRH4LMNAPARP1HTTPARP2
SCHEMBL2660713 0.88 HRH4 (0.42) HRH4LMNAPARP1HTTPARP2
SCHEMBL2660737 0.87 ENPP1 (0.38) HRH4LMNAPARP1HTTPARP2
SCHEMBL2660637 0.86 LMNA (0.38) HRH4LMNAPARP1HTTPARP2
SCHEMBL2660242 0.86 SSTR5 (0.34) HRH4LMNAPARP1HTTPARP2
SCHEMBL2656723 0.83 GABRG2 (0.44) LMNAPARP1HTTPARP2
SCHEMBL2657821 0.83 LMNA (0.38) LMNAPARP1HTTPARP2
SCHEMBL2660678 0.82 GABRG2 (0.45) HRH4LMNAPARP1HTTPARP2

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 HRH4 167/4885HRH3 180/4885KDM4A 1571/4885

“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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