SCHEMBL2669394

SCHEMBL2669394

Nc1c2c(nc3c(-c4ccccn4)cccc13)CN(C1CCC1)C2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.36
▸ PARP1 P09874 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ ACVR1 Q04771 3/20 0.33
▸ BMPR1A P36894 2/20 0.33
▸ ACVRL1 P37023 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ PIK3CA P42336 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ F12 P00748 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL2656099 0.89 PARP1 (0.35) GRM5PARP1MAPTPOLBHTT
SCHEMBL4924879 0.88 TSHR (0.35) GRM5PARP1POLBHTTESR2
SCHEMBL2669510 0.87 ACVR1 (0.34) GRM5PARP1POLBHTTESR2
SCHEMBL2669424 0.85 MAPK1 (0.36) GRM5PARP1POLBHTTESR2
SCHEMBL2669396 0.84 PARP1 (0.35) GRM5PARP1POLBHTTESR2
SCHEMBL2660877 0.84 MAPK1 (0.43) GRM5PARP1MAPTPOLBHTT
SCHEMBL2657795 0.83 HSP90AA1 (0.39) GRM5PARP1POLBHTTESR2
SCHEMBL4917158 0.83 MAPK1 (0.40) GRM5PARP1POLBHTTESR2
SCHEMBL2661471 0.83 HSD11B1 (0.36) GRM5PARP1POLBHTTESR2
SCHEMBL2658060 0.83 PIK3CA (0.45) ACVR1BMPR1AACVRL1PIK3CAALDH1A1

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 5 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
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

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 GRM5 222/4885PARP1 1350/4885MAPT 4/4885

“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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