SCHEMBL4917176

SCHEMBL4917176

C[C@H]1C[C@H](N2Cc3nc4c(Br)cccc4c(N)c3C2=O)C1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.37
▸ PARP1 P09874 1/20 0.32
▸ PARP2 Q9UGN5 1/20 0.32
▸ ADORA1 P30542 1/20 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
SCHEMBL2661049 1.00 HRH4 (0.37) HRH4PARP1PARP2ADORA1
SCHEMBL2660878 0.89 PARP1 (0.38) HRH4PARP1PARP2ADORA1
SCHEMBL4921710 0.86 PARP1 (0.40) HRH4PARP1PARP2ADORA1
SCHEMBL2660900 0.86 PARP1 (0.38) HRH4PARP1PARP2ADORA1
SCHEMBL2655216 0.80 HRH4 (0.42) HRH4PARP1ADORA1
SCHEMBL2656853 0.79 HRH4 (0.38) HRH4ADORA1
SCHEMBL2669418 0.78 PIK3CA (0.39) HRH4
SCHEMBL4925266 0.78 GABRG2 (0.43) —
SCHEMBL13991075 0.78 PIK3CA (0.39) HRH4
SCHEMBL4915461 0.78 PIK3CA (0.39) HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US 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 HRH4 167/4885PARP1 1350/4885PARP2 1768/4885

“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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