SCHEMBL2661337

SCHEMBL2661337

Nc1c2c(nc3c(-c4cc(F)ccc4F)cccc13)CN(C1CC1)C2=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 6/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ DPP4 P27487 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ TP53 P04637 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KIF11 P52732 4/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CHRNA1 P02708 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ HTR3A P46098 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL2669596 0.92 PDE4A (0.42) PDE4AMAPK1DPP4MAPTPOLB
SCHEMBL2661944 0.90 MAPK1 (0.47) PDE4AMAPK1POLBKCNH2CYP1A2
SCHEMBL4913381 0.88 PDE4A (0.40) PDE4AMAPK1POLB
SCHEMBL2661489 0.88 NPY1R (0.40) PDE4AMAPK1DPP4
SCHEMBL2669595 0.88 MAPK1 (0.47) PDE4AMAPK1POLBALDH1A1CHRNA1
SCHEMBL2662522 0.86 MAPK1 (0.48) MAPK1POLBALDH1A1CHRNA1CHRNB2
SCHEMBL2660844 0.86 NPY1R (0.41) PDE4AMAPK1KCNH2
SCHEMBL2660877 0.86 MAPK1 (0.43) MAPK1MAPTPOLBTP53ALDH1A1
SCHEMBL2661485 0.84 MAPK1 (0.35) PDE4AMAPK1DPP4MAPTPOLB
SCHEMBL2669504 0.84 GABRG2 (0.41) DPP4MAPTPOLB

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 7 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
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 PDE4A 639/4885MAPK1 3191/4885DPP4 1427/4885

“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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