SCHEMBL2656099

SCHEMBL2656099

Nc1c2c(nc3c(-c4ncccn4)cccc13)CN(C1CCC1)C2=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ACVR1 Q04771 4/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ GRM5 P41594 3/20 0.33
▸ BMPR1A P36894 3/20 0.33
▸ ACVRL1 P37023 3/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ PARP2 Q9UGN5 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK10 P53779 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
SCHEMBL2669394 0.89 GRM5 (0.36) PARP1POLBHTTESR2MAPK1
SCHEMBL2669424 0.88 MAPK1 (0.36) PARP1POLBHTTESR2MAPK1
SCHEMBL2669396 0.86 PARP1 (0.35) PARP1POLBHTTESR2MAPK1
SCHEMBL4917158 0.86 MAPK1 (0.40) PARP1POLBHTTESR2MAPK1
SCHEMBL2658060 0.85 PIK3CA (0.45) ALDH1A1ACVR1GABRG2GABRB3GABRA2
SCHEMBL4924879 0.85 TSHR (0.35) PARP1POLBHTTESR2MAPK1
SCHEMBL2669539 0.85 MAPK1 (0.36) PARP1POLBHTTESR2MAPK1
SCHEMBL2660877 0.84 MAPK1 (0.43) PARP1POLBHTTESR2MAPK1
SCHEMBL2661202 0.84 TSHR (0.35) PARP1POLBHTTESR2MAPK1
SCHEMBL2669510 0.84 ACVR1 (0.34) PARP1POLBHTTESR2MAPK1

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 7 patents. 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 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 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.

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