SCHEMBL4921710

SCHEMBL4921710

Nc1c2c(nc3c(Br)cccc13)CN(C1CCCC1)C2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ GRM5 P41594 1/20 0.37
▸ PARP2 Q9UGN5 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ADORA1 P30542 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ BMPR1A P36894 1/20 0.33
▸ ACVRL1 P37023 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CDK4 P11802 1/20 0.33

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 0.98 PARP1 (0.38) PARP1POLBHTTESR2GRM5
SCHEMBL2660878 0.95 PARP1 (0.38) PARP1POLBHTTESR2GRM5
SCHEMBL4917176 0.86 HRH4 (0.37) PARP1PARP2ADORA1HRH4
SCHEMBL2661049 0.86 HRH4 (0.37) PARP1PARP2ADORA1HRH4
SCHEMBL2662123 0.81 MAPK1 (0.46) PARP1POLBHTTESR2GRM5
SCHEMBL2656099 0.80 PARP1 (0.35) PARP1POLBHTTESR2GRM5
SCHEMBL2660241 0.80 ABCC9 (0.33) PARP1POLBHTTESR2GRM5
SCHEMBL2669396 0.79 PARP1 (0.35) PARP1POLBHTTESR2GRM5
SCHEMBL2660877 0.79 MAPK1 (0.43) PARP1POLBHTTESR2GRM5
SCHEMBL2655216 0.79 HRH4 (0.42) PARP1KDM4EALDH1A1GAAHPGD

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 PARP1 1350/4885POLB 2852/4885HTT 503/4885

“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.

Send feedback