SCHEMBL4515528

SCHEMBL4515528

OCc1cc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)nc1Cn1cccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.35
NR1I3 Q14994 1/20 0.35
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
CNR2 P34972 1/20 0.34
CRHR1 P34998 1/20 0.33
CNR1 P21554 1/20 0.33
KCNH2 Q12809 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL3954111 0.90 DPP4 (0.39) PDE4BGABRA2GABRB2CNR2CRHR1
SCHEMBL4541866 0.86 PDE4B (0.38) PDE4BGABRA2GABRB2CNR2CRHR1
SCHEMBL4541863 0.86 PDE4B (0.36) PDE4BGABRA2GABRB2CNR2CRHR1
SCHEMBL3114685 0.78 CRHR1 (0.38) GABRA2GABRB2CDC7DBF4CRHR1
SCHEMBL4513493 0.74 CNR1 (0.45) CNR2CNR1
SCHEMBL4038685 0.69 CRHR1 (0.37) CRHR1
SCHEMBL4911902 0.68 MALT1 (0.43) CRHR1CNR1
SCHEMBL3102348 0.68 DPP4 (0.41) CRHR1
SCHEMBL4038688 0.68 CRHR1 (0.39) GABRA2GABRB2CRHR1
SCHEMBL4910547 0.68 DPP4 (0.45) CNR2CRHR1CNR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203699-A1 AMINOMETHYLPYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS 2009-08-13 US 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-20090203699-A1 AMINOMETHYLPYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF TPMT, QDPR, HNMT PDE4B 192/4885NR1I3 4511/4885GABRA2 791/4885

“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.