SCHEMBL2661001

SCHEMBL2661001

N#Cc1ccccc1-c1cccc2c(N)c3c(nc12)CN(C1CC1)C3=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.38
▸ DPP4 P27487 2/20 0.35
▸ GRM5 P41594 2/20 0.35
▸ CDK4 P11802 1/20 0.34
▸ HTR2C P28335 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PLAT P00750 1/20 0.32
▸ NPY1R P25929 1/20 0.32
▸ NPY5R Q15761 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
SCHEMBL2661381 0.96 CDK4 (0.39) MAPK1DPP4GRM5CDK4KDM4E
SCHEMBL2661561 0.96 CDK4 (0.37) MAPK1DPP4GRM5CDK4HTR2C
SCHEMBL2661444 0.86 NPY1R (0.39) MAPK1DPP4HTR2CHTR2BHTR2A
SCHEMBL2661258 0.85 PIK3CD (0.36) MAPK1DPP4HTR2BMAPTCYP3A4
SCHEMBL2661485 0.85 MAPK1 (0.35) MAPK1DPP4CDK4HTR2BMAPT
SCHEMBL27807922 0.85 NPY1R (0.33) MAPK1DPP4GRM5CDK4KDM4E
SCHEMBL2661944 0.84 MAPK1 (0.47) MAPK1GRM5CDK4ADORA2ANPY1R
SCHEMBL2661719 0.84 DPP4 (0.37) DPP4GRM5ADORA2ACA1CA2
SCHEMBL2661378 0.82 DPP4 (0.39) DPP4GRM5HTR2CKDM4EMEN1
SCHEMBL2669595 0.82 MAPK1 (0.47) MAPK1GRM5ALDH1A1NPY1RNPY5R

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 11 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
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
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 MAPK1 3191/4885DPP4 1427/4885GRM5 222/4885

“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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