SCHEMBL2662222

SCHEMBL2662222

COc1ncc(-c2cccc3c(N)c4c(nc23)CN(C2CC2)C4=O)cc1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 7/20 0.38
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ PIK3CA P42336 13/20 0.36
▸ NPY1R P25929 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ BMPR1A P36894 1/20 0.34
▸ ACVRL1 P37023 1/20 0.34
▸ ACVR1 Q04771 1/20 0.34
▸ AKT1 P31749 2/20 0.34
▸ ATR Q13535 1/20 0.33
▸ ATRIP Q8WXE1 1/20 0.33
▸ PIK3CG P48736 1/20 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
SCHEMBL2669425 0.97 PIK3CA (0.38) MTORGABRG2GABRB3GABRA2PIK3CA
SCHEMBL2661563 0.85 ACVR1 (0.38) MTORPIK3CABMPR1AACVRL1ACVR1
SCHEMBL2660836 0.84 PIK3CG (0.36) MTORGABRG2GABRB3GABRA2PIK3CG
SCHEMBL2656398 0.83 GABRG2 (0.33) MTORGABRG2GABRB3GABRA2PIK3CA
SCHEMBL2657367 0.83 MTOR (0.38) MTORPIK3CABMPR1AACVRL1ACVR1
SCHEMBL2660996 0.83 PIK3CA (0.42) MTORGABRG2GABRB3GABRA2PIK3CA
SCHEMBL2661545 0.82 GABRG2 (0.45) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL4924467 0.82 HRH4 (0.41) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL4923077 0.82 GABRG2 (0.40) GABRG2GABRB3GABRA2PIK3CANPY1R
SCHEMBL2669535 0.81 PIK3CA (0.46) MTORPIK3CAAKT1

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 MTOR 2672/4885GABRG2 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.

Send feedback