SCHEMBL2661644

SCHEMBL2661644

CCCN1Cc2nc3c(-c4cnc(OC)cc4C)cccc3c(N)c2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.35
▸ BTK Q06187 2/20 0.34
▸ TEC P42680 1/20 0.34
▸ BMX P51813 1/20 0.34
▸ GABRG2 P18507 4/20 0.34
▸ GABRB3 P28472 4/20 0.34
▸ GABRA2 P47869 4/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PARP2 Q9UGN5 1/20 0.33
▸ HTR1A P08908 2/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL2660836 0.86 PIK3CG (0.36) CRHR1GABRG2GABRB3GABRA2KDM4E
SCHEMBL2661059 0.86 GABRG2 (0.46) GABRG2GABRB3GABRA2KDM4EALDH1A1
SCHEMBL2661723 0.85 CRHR1 (0.35) CRHR1KDM4EALDH1A1TSHRLMNA
SCHEMBL2661536 0.84 GABRG2 (0.49) GABRG2GABRB3GABRA2ALDH1A1TP53
SCHEMBL4913959 0.84 GABRG2 (0.37) BTKGABRG2GABRB3GABRA2KDM4E
SCHEMBL4922388 0.83 LCK (0.47) BTKGABRG2GABRB3GABRA2LMNA
SCHEMBL2661290 0.83 GABRG2 (0.46) CRHR1BTKTECBMXGABRG2
SCHEMBL2660780 0.83 GABRG2 (0.42) BTKGABRG2GABRB3GABRA2ALDH1A1
SCHEMBL2655626 0.83 BRD9 (0.43) GABRG2GABRB3GABRA2KDM4EALDH1A1
SCHEMBL2655382 0.82 LMNA (0.38) BTKGABRG2GABRB3GABRA2ALDH1A1

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 CRHR1 60/4885BTK 2744/4885TEC 745/4885

“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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