SCHEMBL2661661

SCHEMBL2661661

COc1ncc(-c2c(F)ccc3c(N)c4c(nc23)CN(C2CCC2)C4=O)c(OC)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 10/20 0.40
▸ GABRG2 P18507 4/20 0.37
▸ GABRB3 P28472 4/20 0.37
▸ GABRA2 P47869 4/20 0.37
▸ BMPR1A P36894 3/20 0.34
▸ ACVRL1 P37023 3/20 0.34
▸ ACVR1 Q04771 3/20 0.34
▸ PIK3CA P42336 2/20 0.33
▸ MTOR P42345 1/20 0.33
▸ TP53 P04637 5/20 0.33

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
SCHEMBL2669565 0.97 MDM2 (0.39) MDM2GABRG2GABRB3GABRA2TP53
SCHEMBL2660485 0.86 GABRG2 (0.51) GABRG2GABRB3GABRA2BMPR1AACVRL1
SCHEMBL2657116 0.86 GABRG2 (0.44) MDM2GABRG2GABRB3GABRA2BMPR1A
SCHEMBL2662110 0.85 PIK3CA (0.41) GABRG2GABRB3GABRA2PIK3CAMTOR
SCHEMBL2659508 0.84 GABRG2 (0.44) MDM2GABRG2GABRB3GABRA2BMPR1A
SCHEMBL2669389 0.84 PIK3CA (0.38) GABRG2GABRB3GABRA2BMPR1AACVRL1
SCHEMBL2657358 0.83 GABRG2 (0.38) MDM2GABRG2GABRB3GABRA2TP53
SCHEMBL2669388 0.82 GABRG2 (0.46) GABRG2GABRB3GABRA2
SCHEMBL4919925 0.82 GABRG2 (0.53) GABRG2GABRB3GABRA2
SCHEMBL2669390 0.82 GABRG2 (0.40) GABRG2GABRB3GABRA2PIK3CATP53

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 MDM2 1355/4885GABRG2 592/4885GABRB3 332/4885

“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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