SCHEMBL2669534

SCHEMBL2669534

Cc1ccncc1-c1cccc2c(N)c3c(nc12)CN(C1CCC1)C3=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.46
▸ BTK Q06187 1/20 0.46
▸ CYP17A1 P05093 9/20 0.42
▸ CYP1A2 P05177 2/20 0.36
▸ TSHR P16473 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ BMPR1A P36894 1/20 0.35
▸ ACVRL1 P37023 1/20 0.35
▸ ACVR1 Q04771 1/20 0.35
▸ MAP4K1 Q92918 4/20 0.34
▸ MAP3K5 Q99683 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
SCHEMBL4921275 0.88 GABRG2 (0.43) LCKBTKTSHRMAPK10
SCHEMBL2669395 0.87 NPY1R (0.37) LCKBTKCYP1A2TSHRMAPK10
SCHEMBL2669396 0.86 PARP1 (0.35) TSHRMAPK10BMPR1AACVRL1ACVR1
SCHEMBL4924879 0.85 TSHR (0.35) TSHRMAPK10BMPR1AACVRL1ACVR1
SCHEMBL4924422 0.84 LCK (0.51) LCKBTKCYP17A1CYP1A2MAP4K1
SCHEMBL2662058 0.84 GABRG2 (0.44) LCKBTKCYP17A1CYP1A2TSHR
SCHEMBL2661491 0.84 MAPK1 (0.35) BMPR1AACVRL1ACVR1
SCHEMBL4924467 0.84 HRH4 (0.41) BMPR1AACVRL1ACVR1
SCHEMBL2656099 0.83 PARP1 (0.35) TSHRMAPK10BMPR1AACVRL1ACVR1
SCHEMBL2660877 0.82 MAPK1 (0.43) —

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 5 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
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

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 LCK 4253/4885BTK 2744/4885CYP17A1 432/4885

“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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