SCHEMBL2661448

SCHEMBL2661448

CCCN1Cc2nc3c(-c4cc(Cl)cnc4OC)cccc3c(N)c2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 3/20 0.37
▸ GABRB3 P28472 3/20 0.37
▸ GABRA2 P47869 3/20 0.37
▸ TP53 P04637 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PDE5A O76074 2/20 0.34
▸ METAP2 P50579 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ ATR Q13535 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
SCHEMBL2661059 0.90 GABRG2 (0.46) GABRG2GABRB3GABRA2TP53HTT
SCHEMBL2660909 0.90 GABRG2 (0.37) GABRG2GABRB3GABRA2TP53HTT
SCHEMBL2660836 0.87 PIK3CG (0.36) GABRG2GABRB3GABRA2TP53HTT
SCHEMBL4922433 0.87 PIK3CA (0.36) GABRG2GABRB3GABRA2TP53HTT
SCHEMBL4926862 0.86 PDE5A (0.41) GABRG2GABRB3GABRA2TP53LMNA
SCHEMBL2661061 0.85 GRM2 (0.42) GRM2
SCHEMBL2661996 0.84 KDM4E (0.36) GABRG2GABRB3GABRA2HTTLMNA
SCHEMBL2660719 0.84 CRHR1 (0.36) HTTLMNAPARP1PARP2ALDH1A1
SCHEMBL2655626 0.82 BRD9 (0.43) GABRG2GABRB3GABRA2TP53HTT
SCHEMBL2660720 0.82 GABRG2 (0.35) GABRG2GABRB3GABRA2TP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176263-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS AstraZeneca AB (SE) 2010-04-21 — — EP claimed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US claimed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 — — WO 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
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 GABRG2 592/4885GABRB3 332/4885GABRA2 218/4885

“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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