SCHEMBL2660877

SCHEMBL2660877

Nc1c2c(nc3c(-c4ccccc4F)cccc13)CN(C1CCC1)C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.43
▸ IL4I1 Q96RQ9 1/20 0.38
▸ SCN9A Q15858 1/20 0.36
▸ POLB P06746 3/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ ALPL P05186 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 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
SCHEMBL2661944 0.96 MAPK1 (0.47) MAPK1IL4I1SCN9APOLBPARP1
SCHEMBL2669595 0.89 MAPK1 (0.47) MAPK1POLBPARP1HTTESR2
SCHEMBL2662522 0.88 MAPK1 (0.48) MAPK1POLBPARP1HTTESR2
SCHEMBL4917158 0.87 MAPK1 (0.40) MAPK1IL4I1SCN9APOLBPARP1
SCHEMBL2669424 0.87 MAPK1 (0.36) MAPK1POLBPARP1HTTESR2
SCHEMBL4921007 0.87 MAPK1 (0.36) MAPK1POLBPARP1HTTESR2
SCHEMBL4921314 0.86 GABRG2 (0.41) MAPK1POLBGRM5NPY1RNPY5R
SCHEMBL4920996 0.86 MAPK1 (0.37) MAPK1IL4I1POLBPARP1HTT
SCHEMBL2669596 0.86 PDE4A (0.42) MAPK1POLBTP53KCNH2MAPT
SCHEMBL2661337 0.86 PDE4A (0.42) MAPK1POLBTP53KCNH2MAPT

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
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
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 3191/4885IL4I1 378/4885SCN9A 3078/4885

“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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