SCHEMBL2661703

SCHEMBL2661703

CCN1Cc2nc3c(-c4ccccc4C#N)cccc3c(N)c2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.35
▸ PDE5A O76074 2/20 0.35
▸ PDE6C P51160 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ KEAP1 Q14145 1/20 0.31
▸ NFE2L2 Q16236 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ MAP3K5 Q99683 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL2661216 0.92 DPP4 (0.36) DPP4KDM4ECA1CA2HRH4
SCHEMBL2661719 0.86 DPP4 (0.37) DPP4KDM4ECA1CA2HRH4
SCHEMBL2661001 0.82 MAPK1 (0.38) DPP4KDM4ECA1CA2MEN1
SCHEMBL2661564 0.81 DPP4 (0.33) DPP4CA1CA2
SCHEMBL2661381 0.80 CDK4 (0.39) DPP4KDM4EALDH1A1HPGDGRM5
SCHEMBL2661561 0.80 CDK4 (0.37) DPP4KDM4EADORA2AALDH1A1HPGD
SCHEMBL2657758 0.80 LCK (0.48) —
SCHEMBL2660994 0.80 GABRA1 (0.36) DPP4PDE5APDE6CKDM4EPDE10A
SCHEMBL2660653 0.79 HRH4 (0.47) PDE5APDE6CHRH4
SCHEMBL2659840 0.79 GABRG2 (0.43) PDE5AKDM4EMEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101778849-A Fused quinoline derivatives useful as gaba modulators ASTRAZENECA AB 2010-07-14 — — CN claimed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US claimed
CN-101778849-A Fused quinoline derivatives useful as gaba modulators ASTRAZENECA AB 2010-07-14 — — CN disclosed
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
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US 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
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 DPP4 1427/4885PDE5A 742/4885PDE6C 2133/4885

“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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