SCHEMBL3426575

SCHEMBL3426575

Nc1ccc(-n2cnc(CO)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
CPB1 P15086 3/20 0.39
CPB2 Q96IY4 3/20 0.39
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NOTUM Q6P988 4/20 0.33
KDM4E B2RXH2 1/20 0.33
MAP4K4 O95819 1/20 0.33
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33
SCD O00767 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
SCHEMBL4428918 0.82 PDE3B (0.53) PDE3BPDE3AMAPTCPB1CPB2
SCHEMBL4434213 0.82 NOTUM (0.51) PDE3BPDE3AMAPTLMNACPB1
SCHEMBL2173293 0.82 PDE3B (0.50) PDE3BPDE3AMAPTCPB1CPB2
SCHEMBL4432563 0.82 NOTUM (0.51) PDE3BPDE3AMAPTCPB1CPB2
SCHEMBL1698763 0.82 PDE3B (0.50) PDE3BPDE3AMAPTCPB1CPB2
SCHEMBL4433834 0.81 CPB2 (0.50) PDE3BPDE3AMAPTCPB1CPB2
SCHEMBL4427934 0.79 PDE3B (0.54) PDE3BPDE3AMAPTCPB1CPB2
SCHEMBL27749290 0.79 PDE3B (0.47) PDE3BPDE3AMAPTCPB1CPB2
SCHEMBL23013305 0.78 NOTUM (0.55) PDE3BPDE3ACPB1CPB2CYP1A2
SCHEMBL6785441 0.78 NOTUM (0.55) PDE3BPDE3ACPB1CPB2NOTUM

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-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
CN-101952275-B Modulators for amyloid protein beta HOFFMANN LA ROCHE 2014-06-18 CN disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 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 (2 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-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB PDE3B 1202/4885PDE3A 558/4885MAPT 23/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB PDE3B 1274/4885PDE3A 620/4885MAPT 24/4885

“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.