SCHEMBL2657758

SCHEMBL2657758

CCN1Cc2nc3c(-c4cnccc4C)cccc3c(N)c2C1=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.48
▸ BTK Q06187 1/20 0.48
▸ CYP17A1 P05093 17/20 0.39
▸ CYP1A2 P05177 9/20 0.38
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA2 P47869 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
SCHEMBL4922388 0.92 LCK (0.47) LCKBTKCYP17A1CYP1A2GABRG2
SCHEMBL2656832 0.87 GABRG2 (0.49) LCKBTKCYP1A2GABRG2GABRB3
SCHEMBL4924422 0.86 LCK (0.51) LCKBTKCYP17A1CYP1A2
SCHEMBL2657693 0.84 LCK (0.34) LCKBTKCYP17A1
SCHEMBL2659248 0.82 LCK (0.47) LCKBTKCYP17A1CYP1A2
SCHEMBL2659840 0.81 GABRG2 (0.43) LCKBTKGABRG2GABRB3GABRA2
SCHEMBL2660780 0.81 GABRG2 (0.42) LCKBTKGABRG2GABRB3GABRA2
SCHEMBL2669534 0.81 LCK (0.46) LCKBTKCYP17A1CYP1A2
SCHEMBL2661751 0.81 HSP90AA1 (0.37) LCKBTKGABRG2GABRB3GABRA2
SCHEMBL2656785 0.80 PIK3CA (0.37) BTKGABRG2GABRB3GABRA2

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 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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