SCHEMBL2661459

SCHEMBL2661459

Cn1cc(-c2cccc3c(N)c4c(nc23)CN(C2CCC2)C4=O)cn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 10/20 0.48
▸ ACVRL1 P37023 9/20 0.48
▸ BMPR1A P36894 8/20 0.48
▸ LCK P06239 1/20 0.48
▸ BTK Q06187 1/20 0.48
▸ PIK3CA P42336 2/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ CLK2 P49760 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ GRM2 Q14416 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PIK3CG P48736 1/20 0.35

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
SCHEMBL2669396 0.84 PARP1 (0.35) ACVR1ACVRL1BMPR1APIK3CG
SCHEMBL2669594 0.84 BMPR1A (0.40) ACVR1ACVRL1BMPR1APIK3CA
SCHEMBL2661410 0.84 MEN1 (0.37) ACVR1ACVRL1BMPR1APIK3CABRD4
SCHEMBL2661202 0.83 TSHR (0.35) ACVR1ACVRL1BMPR1ALCKBTK
SCHEMBL4920996 0.82 MAPK1 (0.37) ACVR1ACVRL1BMPR1APDE4A
SCHEMBL2669535 0.81 PIK3CA (0.46) PIK3CA
SCHEMBL2661563 0.81 ACVR1 (0.38) ACVR1ACVRL1BMPR1APIK3CALRRK2
SCHEMBL2656099 0.81 PARP1 (0.35) ACVR1ACVRL1BMPR1APIK3CA
SCHEMBL2669561 0.81 PIK3CA (0.37) PIK3CAPIK3CG
SCHEMBL2669534 0.81 LCK (0.46) ACVR1ACVRL1BMPR1ALCKBTK

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 ACVR1 4057/4885ACVRL1 3949/4885BMPR1A 1929/4885

“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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