SCHEMBL2661277

SCHEMBL2661277

COc1ccc(CN2Cc3nc4c(-c5cnn(C)c5)cccc4c(N)c3C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.43
▸ BTK Q06187 1/20 0.43
▸ CCNA2 P20248 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ TTK P33981 2/20 0.40
▸ MET P08581 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ CHRM1 P11229 2/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CSF1R P07333 5/20 0.35
▸ NTRK1 P04629 2/20 0.35
▸ NTRK3 Q16288 2/20 0.35
▸ NTRK2 Q16620 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ CLK1 P49759 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
SCHEMBL2661588 0.86 CYP11B1 (0.43) HRH4MEN1KMT2AKDM4ECHRM5
SCHEMBL2660988 0.85 MEN1 (0.40) HRH4MEN1KMT2AKDM4EBRD4
SCHEMBL2661358 0.84 PDE5A (0.40) HRH4MEN1KMT2AKDM4ECHRM5
SCHEMBL4924382 0.84 LCK (0.49) LCKBTKCHRM1CHRM3BRD4
SCHEMBL2661670 0.83 KDM4E (0.39) HRH4MEN1KMT2AKDM4ECHRM5
SCHEMBL2661373 0.83 GABRG2 (0.43) MEN1KMT2AKDM4ECHRM5
SCHEMBL2655999 0.82 MEN1 (0.40) MEN1KMT2AKDM4E
SCHEMBL2661222 0.82 CRHR1 (0.42) MEN1KMT2AKDM4ECHRM5
SCHEMBL2661184 0.82 KDM4E (0.39) MEN1KMT2AKDM4ECHRM5
SCHEMBL2661248 0.82 GABRG2 (0.45) MEN1KMT2AKDM4ECHRM5

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 LCK 4253/4885BTK 2744/4885CCNA2 1722/4885

“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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