SCHEMBL2661996

SCHEMBL2661996

CCCN1Cc2nc3c(-c4cc(OC)cnc4Cl)cccc3c(N)c2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ GABRG2 P18507 6/20 0.36
▸ GABRB3 P28472 6/20 0.36
▸ GABRA2 P47869 6/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ PDE5A O76074 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PARP2 Q9UGN5 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ SIK2 Q9H0K1 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
SCHEMBL2660837 0.89 GABRG2 (0.34) KDM4EALDH1A1GABRG2GABRB3GABRA2
SCHEMBL2660201 0.88 LMNA (0.33) PDE5ALMNAPARP1HTTPARP2
SCHEMBL2661448 0.84 GABRG2 (0.37) KDM4EALDH1A1TSHRGABRG2GABRB3
SCHEMBL4922967 0.84 GABRG2 (0.39) KDM4EALDH1A1TSHRGABRG2GABRB3
SCHEMBL4919239 0.84 KDM4E (0.37) KDM4EALDH1A1TSHRGABRG2GABRB3
SCHEMBL4920722 0.84 KDM4E (0.43) KDM4EALDH1A1TSHRGABRG2GABRB3
SCHEMBL4920872 0.83 CRHR1 (0.47) KDM4EALDH1A1TSHRGABRG2GABRB3
SCHEMBL2661560 0.83 BRD4 (0.40) KDM4EALDH1A1TSHRMAPTKMT2A
SCHEMBL4926862 0.82 PDE5A (0.41) KDM4EALDH1A1GABRG2GABRB3GABRA2
SCHEMBL2661245 0.82 MAPT (0.39) KDM4EALDH1A1TSHRGABRG2GABRB3

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 KDM4E 2357/4885ALDH1A1 442/4885TSHR 265/4885

“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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