SCHEMBL2660241

SCHEMBL2660241

Nc1c2c(nc3c(Br)c(F)ccc13)CN(C1CCC1)C2=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 1/20 0.33
▸ ABCC8 Q09428 1/20 0.33
▸ KCNJ11 Q14654 1/20 0.33
▸ KCNJ8 Q15842 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ BMPR1A P36894 3/20 0.33
▸ ACVRL1 P37023 3/20 0.33
▸ ACVR1 Q04771 3/20 0.33
▸ PARP1 P09874 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ MAOA P21397 2/20 0.31
▸ DGAT1 O75907 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SCN9A Q15858 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA2B P29275 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
SCHEMBL2662169 0.95 MAPK1 (0.37) ABCC9ABCC8KCNJ11KCNJ8MAPK1
SCHEMBL2660127 0.86 SCN9A (0.35) PARP1SCN9AADORA2AADORA2BADORA1
SCHEMBL2657245 0.86 SCN9A (0.35) PARP1SCN9AADORA2AADORA2BADORA1
SCHEMBL2660129 0.86 SCN9A (0.35) PARP1SCN9AADORA2AADORA2BADORA1
SCHEMBL4920565 0.82 PDE4A (0.36) MAPK1BMPR1AACVRL1ACVR1
SCHEMBL2660900 0.82 PARP1 (0.38) MAPK1PARP1POLBHTTESR2
SCHEMBL2661708 0.82 MAPK1 (0.37) MAPK1PARP1GRM5MAOA
SCHEMBL2656347 0.80 MAPKAPK2 (0.38) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL2661936 0.80 MAPK1 (0.35) MAPK1BMPR1AACVRL1ACVR1GRM5
SCHEMBL2660877 0.80 MAPK1 (0.43) MAPK1PARP1POLBHTTESR2

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 3 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 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 ABCC9 4403/4885ABCC8 1576/4885KCNJ11 3882/4885

“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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