SCHEMBL2669396

SCHEMBL2669396

Nc1c2c(nc3c(-c4ccncc4)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
▸ ACVR1 Q04771 3/20 0.35
▸ BMPR1A P36894 2/20 0.35
▸ ACVRL1 P37023 2/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ PARP2 Q9UGN5 1/20 0.32
▸ CDK5 Q00535 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ GRIA1 P42261 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
SCHEMBL2661202 0.89 TSHR (0.35) PARP1POLBHTTESR2ACVR1
SCHEMBL2656099 0.86 PARP1 (0.35) PARP1POLBHTTESR2ACVR1
SCHEMBL2669534 0.86 LCK (0.46) ACVR1BMPR1AACVRL1TSHRMAPK10
SCHEMBL4920996 0.86 MAPK1 (0.37) PARP1POLBHTTESR2ACVR1
SCHEMBL2661531 0.84 TSHR (0.38) PARP1HTTMAPK1TSHRMAPK10
SCHEMBL2661459 0.84 ACVR1 (0.48) ACVR1BMPR1AACVRL1PIK3CG
SCHEMBL4924879 0.84 TSHR (0.35) PARP1POLBHTTESR2ACVR1
SCHEMBL2669394 0.84 GRM5 (0.36) PARP1POLBHTTESR2ACVR1
SCHEMBL4921275 0.84 GABRG2 (0.43) POLBTSHRMAPK10
SCHEMBL2660877 0.83 MAPK1 (0.43) 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 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 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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