SCHEMBL2661471

SCHEMBL2661471

N#Cc1ccc(-c2cccc3c(N)c4c(nc23)CN(C2CCC2)C4=O)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.36
▸ ALOX5AP P20292 2/20 0.34
▸ FEN1 P39748 2/20 0.34
▸ HSD11B2 P80365 1/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ PDE4A P27815 5/20 0.32
▸ BMPR1A P36894 2/20 0.32
▸ ACVRL1 P37023 2/20 0.32
▸ ACVR1 Q04771 2/20 0.32
▸ TNF P01375 1/20 0.31
▸ LITAF Q99732 1/20 0.31
▸ SCD5 Q86SK9 1/20 0.31
▸ HRH4 Q9H3N8 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ EGLN2 Q96KS0 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
SCHEMBL2669510 0.88 ACVR1 (0.34) ALOX5APFEN1GRM5BMPR1AACVRL1
SCHEMBL2669509 0.86 ACVR1 (0.40) GRM5BMPR1AACVRL1ACVR1POLB
SCHEMBL2661035 0.83 BACE1 (0.40) HSD11B1GRM5BMPR1AACVRL1ACVR1
SCHEMBL2669394 0.83 GRM5 (0.36) GRM5BMPR1AACVRL1ACVR1POLB
SCHEMBL2661561 0.82 CDK4 (0.37) GRM5POLBPARP1HTTESR2
SCHEMBL2660899 0.82 PDE4A (0.41) ALOX5APFEN1GRM5PDE4ABMPR1A
SCHEMBL4924879 0.81 TSHR (0.35) GRM5BMPR1AACVRL1ACVR1POLB
SCHEMBL2661474 0.81 HRH4 (0.32) GRM5HRH4EGLN2
SCHEMBL2661381 0.81 CDK4 (0.39) GRM5BMPR1AACVRL1ACVR1POLB
SCHEMBL2656099 0.80 PARP1 (0.35) GRM5BMPR1AACVRL1ACVR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101778849-A Fused quinoline derivatives useful as gaba modulators ASTRAZENECA AB 2010-07-14 — — CN claimed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US claimed
CN-101778849-A Fused quinoline derivatives useful as gaba modulators ASTRAZENECA AB 2010-07-14 — — CN disclosed
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

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 HSD11B1 431/4885ALOX5AP 2738/4885FEN1 4492/4885

“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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