SCHEMBL2660878

SCHEMBL2660878

Nc1c2c(nc3c(Br)cccc13)CN(C1CC1)C2=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 8/20 0.38
▸ PARP2 Q9UGN5 4/20 0.38
▸ MAPK1 P28482 2/20 0.36
▸ ADORA1 P30542 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ GRM5 P41594 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAOA P21397 2/20 0.31

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
SCHEMBL2660900 0.95 PARP1 (0.38) PARP1PARP2MAPK1ADORA1HRH4
SCHEMBL4921710 0.95 PARP1 (0.40) PARP1PARP2ADORA1HRH4GRM5
SCHEMBL2661049 0.89 HRH4 (0.37) PARP1PARP2ADORA1HRH4
SCHEMBL4917176 0.89 HRH4 (0.37) PARP1PARP2ADORA1HRH4
SCHEMBL2662123 0.85 MAPK1 (0.46) PARP1PARP2MAPK1ADORA1GRM5
SCHEMBL4924467 0.82 HRH4 (0.41) PARP1PARP2MAPK1HRH4GRM5
SCHEMBL2662522 0.81 MAPK1 (0.48) PARP1PARP2MAPK1GRM5POLB
SCHEMBL2655216 0.81 HRH4 (0.42) PARP1ADORA1HRH4KDM4E
SCHEMBL2662169 0.81 MAPK1 (0.37) PARP1MAPK1GRM5MAOA
SCHEMBL2661944 0.81 MAPK1 (0.47) PARP1MAPK1GRM5POLBHTT

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 PARP1 1350/4885PARP2 1768/4885MAPK1 3191/4885

“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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