SCHEMBL2657791

SCHEMBL2657791

COc1ccncc1-c1cccc2c(N)c3c(nc12)CN(C1=CC=C1)C3=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 4/20 0.43
▸ GABRB3 P28472 4/20 0.43
▸ GABRA2 P47869 4/20 0.43
▸ UGCG Q16739 2/20 0.35
▸ LCK P06239 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ CYP1A2 P05177 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ADORA2A P29274 2/20 0.31
▸ PRMT1 Q99873 1/20 0.31
▸ MDM2 Q00987 3/20 0.31
▸ TP53 P04637 2/20 0.31
▸ MDM4 O15151 2/20 0.31
▸ CYP17A1 P05093 1/20 0.31
▸ CYP11B2 P19099 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
SCHEMBL2655844 0.94 GABRG2 (0.37) GABRG2GABRB3GABRA2UGCGLCK
SCHEMBL2655753 0.91 UGCG (0.39) GABRG2GABRB3GABRA2UGCGCYP1A2
SCHEMBL2659248 0.88 LCK (0.47) LCKBTKCYP1A2CYP17A1
SCHEMBL2658032 0.87 UGCG (0.33) GABRG2GABRB3GABRA2UGCGMEN1
SCHEMBL4912616 0.86 GABRG2 (0.48) GABRG2GABRB3GABRA2MEN1KMT2A
SCHEMBL2660785 0.86 GABRG2 (0.43) GABRG2GABRB3GABRA2UGCGGAA
SCHEMBL2655981 0.85 CRHR1 (0.38) GABRG2GABRB3GABRA2MEN1CYP3A4
SCHEMBL2658318 0.85 GABRG2 (0.37) GABRG2GABRB3GABRA2UGCG
SCHEMBL2655687 0.84 GABRG2 (0.33) GABRG2GABRB3GABRA2MDM2CYP17A1
SCHEMBL4919724 0.84 CRHR1 (0.41) GABRG2GABRB3GABRA2MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US 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.

Send feedback