SCHEMBL2661202

SCHEMBL2661202

Nc1c2c(nc3c(-c4ccnnc4)cccc13)CN(C1CCC1)C2=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ PARP1 P09874 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ ACVR1 Q04771 5/20 0.33
▸ BMPR1A P36894 4/20 0.33
▸ ACVRL1 P37023 4/20 0.33
▸ PARP2 Q9UGN5 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ PDE9A O76083 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LCK P06239 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ UCHL1 P09936 1/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL2669396 0.89 PARP1 (0.35) TSHRMAPK10PARP1POLBHTT
SCHEMBL2669594 0.85 BMPR1A (0.40) TSHRMAPK10PARP1POLBHTT
SCHEMBL2661531 0.84 TSHR (0.38) TSHRMAPK10PARP1HTTPARP2
SCHEMBL2656099 0.84 PARP1 (0.35) TSHRMAPK10PARP1POLBHTT
SCHEMBL2661459 0.83 ACVR1 (0.48) ACVR1BMPR1AACVRL1LCKBTK
SCHEMBL4920996 0.83 MAPK1 (0.37) PARP1POLBHTTESR2ACVR1
SCHEMBL2669424 0.82 MAPK1 (0.36) TSHRMAPK10PARP1POLBHTT
SCHEMBL2661563 0.82 ACVR1 (0.38) POLBACVR1BMPR1AACVRL1MAPK1
SCHEMBL2669535 0.82 PIK3CA (0.46) —
SCHEMBL2660899 0.82 PDE4A (0.41) PARP1POLBHTTESR2ACVR1

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 TSHR 265/4885MAPK10 4168/4885PARP1 1350/4885

“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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