SCHEMBL1616385

SCHEMBL1616385

Cc1nsc(-c2ccc(N)cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.63
CDK2 P24941 1/20 0.47
ADORA3 P0DMS8 2/20 0.47
ADORA2A P29274 2/20 0.47
ADORA2B P29275 2/20 0.47
ADORA1 P30542 2/20 0.47
APP P05067 6/20 0.44
MAPT P10636 5/20 0.44
GAA P10253 4/20 0.44
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
GLA P06280 3/20 0.44
TP53 P04637 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ACHE P22303 1/20 0.43
HAVCR2 Q8TDQ0 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL12267115 0.83 ALDH1A1 (0.44) CYP19A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL8595731 0.80 CYP19A1 (0.40) CYP19A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL5395670 0.80 APP (0.44) CYP19A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL2361575 0.80 ADORA3 (0.61) CYP19A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL6849437 0.79 ADORA3 (0.59) ADORA3ADORA2AADORA2BADORA1MAPT
SCHEMBL30955225 0.78 RAB9A (0.52) CYP19A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL30955289 0.78 ALDH1A1 (0.53) CYP19A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL27436258 0.78 RAB9A (0.52) CYP19A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL22322457 0.78 MAPT (0.62) CYP19A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL30955267 0.75 ADORA3 (0.40) CYP19A1ADORA3ADORA2AADORA2BADORA1

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 16 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
CN-101910142-B Modulators for beta-amyloid HOFFMANN LA ROCHE 2013-07-10 CN disclosed
WO-2012030952-A3 REDUCING RIPPLE CURRENT IN A SWITCHED-MODE POWER CONVERTER EMPLOYING A BRIDGE TOPOLOGY TEXAS INSTRUMENTS INCORPORATED (US) 2012-05-10 WO disclosed
EP-2231629-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-11-30 EP disclosed
US-7923450-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
CN-101952275-A Modulators for amyloid beta HOFFMANN LA ROCHE 2011-01-19 CN disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
CN-101910142-A The conditioning agent of amyloid beta HOFFMANN LA ROCHE 2010-12-08 CN disclosed
EP-2231629-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-09-29 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
WO-2009087127-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 WO disclosed
US-20090181965-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 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 (3 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-20090181965-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, BACE1 CYP19A1 4641/4885CDK2 4367/4885ADORA3 403/4885
US-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB CYP19A1 4647/4885CDK2 4002/4885ADORA3 2457/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB CYP19A1 4595/4885CDK2 3999/4885ADORA3 2598/4885

“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.