SCHEMBL2658037

SCHEMBL2658037

Nc1c2c(nc3c(-c4ncccc4F)cccc13)CN(C1=CC=C1)C2=O

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL2657610 0.90 — —
SCHEMBL2658826 0.88 GRM5 (0.30) —
SCHEMBL2656851 0.87 DGAT1 (0.32) ADORA2A
SCHEMBL2656102 0.86 GABRG2 (0.34) ADORA2A
SCHEMBL2655656 0.83 GRM5 (0.33) —
SCHEMBL2656934 0.82 PIK3CA (0.38) PIK3CAMAPTRAB9A
SCHEMBL4921006 0.81 BRD4 (0.31) —
SCHEMBL2656158 0.81 ADORA2A (0.32) ADORA2A
SCHEMBL2656238 0.80 GRM5 (0.31) —
SCHEMBL4917158 0.80 MAPK1 (0.40) PIK3CAHCRTR1HCRTR2HTT

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 PIK3CA 3396/4885ADORA2A 440/4885LMNA 1909/4885

“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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