SCHEMBL2658433

SCHEMBL2658433

CCCN1Cc2nc3c(-c4c(F)cccc4F)cccc3c(N)c2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PARP2 Q9UGN5 1/20 0.38
▸ GABRG2 P18507 2/20 0.38
▸ GABRB3 P28472 2/20 0.38
▸ GABRA2 P47869 2/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ ALPL P05186 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ TYMS P04818 1/20 0.31
▸ HTR2C P28335 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
SCHEMBL2656730 0.91 GABRA1 (0.49) LMNAPARP1HTTPARP2GABRG2
SCHEMBL2661065 0.89 ALDH1A1 (0.40) LMNAPARP1HTTPARP2GABRG2
SCHEMBL2660984 0.88 GABRG2 (0.36) LMNAPARP1HTTPARP2GABRG2
SCHEMBL2660737 0.88 ENPP1 (0.38) LMNAPARP1HTTPARP2GABRG2
SCHEMBL2660879 0.87 LMNA (0.35) LMNAPARP1HTTPARP2GABRG2
SCHEMBL2661271 0.87 LMNA (0.35) LMNAPARP1HTTPARP2GABRG2
SCHEMBL4920897 0.86 GABRG2 (0.36) LMNAPARP1HTTPARP2GABRG2
SCHEMBL2660713 0.86 HRH4 (0.42) LMNAPARP1HTTPARP2GABRG2
SCHEMBL4921028 0.86 LMNA (0.36) LMNAPARP1HTTPARP2ALDH1A1
SCHEMBL2658389 0.86 GRM1 (0.38) LMNAPARP1HTTPARP2GABRG2

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 9 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
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 LMNA 1909/4885PARP1 1350/4885HTT 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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