SCHEMBL2661545

SCHEMBL2661545

COc1ncc(-c2cccc3c(N)c4c(nc23)CN(C2CC2)C4=O)c(OC)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 2/20 0.45
▸ GABRB3 P28472 2/20 0.45
▸ GABRA2 P47869 2/20 0.45
▸ MDM2 Q00987 12/20 0.35
▸ TP53 P04637 8/20 0.34
▸ MDM4 O15151 3/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ PLAU P00749 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL2659508 0.96 GABRG2 (0.44) GABRG2GABRB3GABRA2MDM2NPY1R
SCHEMBL2657116 0.96 GABRG2 (0.44) GABRG2GABRB3GABRA2MDM2TP53
SCHEMBL2660996 0.86 PIK3CA (0.42) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2669565 0.86 MDM2 (0.39) GABRG2GABRB3GABRA2MDM2TP53
SCHEMBL2655918 0.85 GABRG2 (0.36) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2657053 0.83 GABRG2 (0.45) GABRG2GABRB3GABRA2MDM2TP53
SCHEMBL4922297 0.83 NPY1R (0.43) GABRG2GABRB3GABRA2TP53NPY1R
SCHEMBL2658060 0.83 PIK3CA (0.45) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2660827 0.83 PIK3CA (0.47) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2661661 0.82 MDM2 (0.40) GABRG2GABRB3GABRA2MDM2TP53

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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