SCHEMBL3319322

SCHEMBL3319322

OCC1COCCN1c1nc2nc(Cl)nc(N3CCCC3)c2nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.42
PDE4B Q07343 8/20 0.42
PDE4C Q08493 8/20 0.42
PDE4D Q08499 8/20 0.42
MTOR P42345 5/20 0.38
PIK3R1 P27986 3/20 0.31
PIK3CA P42336 3/20 0.31
ALDH1A1 P00352 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
SLC29A1 Q99808 1/20 0.30

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
SCHEMBL3321371 0.86 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DMTOR
SCHEMBL6395827 0.75 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL9937466 0.75 PDK1 (0.35) MTORPIK3R1PIK3CAIRAK4
SCHEMBL10707012 0.74 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4974288 0.74 FPR2 (0.37) MTORPIK3R1PIK3CAIRAK4
SCHEMBL4974284 0.74 FPR2 (0.37) MTORPIK3R1PIK3CAIRAK4
SCHEMBL10707551 0.74 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL9937328 0.71 SMN1; SMN2 (0.37) MTORPIK3R1PIK3CAIRAK4
SCHEMBL1719503 0.71 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10706029 0.70 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877756-B2 Substituted pteridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
EP-2032585-B1 SUBSTITUTED PTERIDINES AS THERAPEUTIC AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP disclosed
US-20100120766-A1 Substituted Pteridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-13 US disclosed
US-7674788-B2 7-amino-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine; central nervous system, respiratory, gastrointestinal or inflammatory diseases; joints, skin or eyes diseases; cancer; phosphodiesterase 4 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-09 US disclosed
US-20070287704-A1 7-amino-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine; central nervous system, respiratory, gastrointestinal or inflammatory diseases; joints, skin or eyes diseases; cancer; phosphodiesterase 4 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-13 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 (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-20100120766-A1 Substituted Pteridines PMP22, TLR5, NQO1 PDE4A 1376/4885PDE4B 1580/4885PDE4C 1418/4885
US-20070287704-A1 7-amino-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine; central nervous system, respiratory, gastrointestinal or inflammatory diseases; joints, skin or eyes diseases; cancer; phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885

“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.