SCHEMBL3410707

SCHEMBL3410707

Cc1cc(Cl)nc(OC2CCCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.40
GRM5 P41594 8/20 0.39
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38
FFAR4 Q5NUL3 1/20 0.37
LRRK2 Q5S007 1/20 0.36
PTGS1 P23219 4/20 0.36
LDHA P00338 1/20 0.35
LMNA P02545 1/20 0.35
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CDK6 Q00534 1/20 0.34
CDK5 Q00535 1/20 0.34

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
SCHEMBL19510918 0.97 FFAR4 (0.39) CDK4GRM5PDGFRBPDGFRAFFAR4
SCHEMBL9309427 0.81 PDGFRB (0.41) PDGFRBPDGFRALRRK2PTGS1CDK1
SCHEMBL19899744 0.79 FFAR4 (0.41) CDK4GRM5PDGFRBPDGFRAFFAR4
SCHEMBL11788449 0.78 GRM5 (0.42) CDK4GRM5PDGFRBPDGFRAFFAR4
SCHEMBL19862428 0.77 CDK4 (0.41) CDK4GRM5PDGFRBPDGFRAFFAR4
SCHEMBL3408536 0.76 ALDH1A1 (0.45) GRM5PDGFRBPDGFRAFFAR4LRRK2
SCHEMBL15662450 0.76 PTGS1 (0.53) PDGFRBPDGFRAPTGS1LMNA
SCHEMBL26618046 0.76 PDE2A (0.39) CDK4GRM5PDGFRBPDGFRAFFAR4
SCHEMBL31426424 0.76 PDE2A (0.39) CDK4GRM5PDGFRBPDGFRAFFAR4
SCHEMBL23790497 0.75 LRRK2 (0.44) CDK4GRM5PDGFRBPDGFRAFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-11-02 US disclosed
US-11767334-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2023-09-26 US disclosed
US-20170342094-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2017-11-30 US disclosed
US-9777024-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2017-10-03 US disclosed
US-20160137672-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2016-05-19 US disclosed
US-9221843-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2015-12-29 US disclosed
US-20150119362-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2015-04-30 US disclosed
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US 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-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
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 (7 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-20150119362-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C CDK4 1099/4885GRM5 2313/4885PDGFRB 1055/4885
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C CDK4 1161/4885GRM5 2645/4885PDGFRB 465/4885
US-20170342094-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C CDK4 1161/4885GRM5 2645/4885PDGFRB 465/4885
US-11767334-B2 Heteroaryl inhibitors of PDE4 PDE4A, PDE4B, PDE4C CDK4 1161/4885GRM5 2645/4885PDGFRB 465/4885
US-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB CDK4 4776/4885GRM5 4105/4885PDGFRB 992/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB CDK4 4792/4885GRM5 4213/4885PDGFRB 1047/4885
US-20160137672-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C CDK4 1099/4885GRM5 2313/4885PDGFRB 1055/4885

“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.