SCHEMBL3322343

SCHEMBL3322343

C[C@H]1CCCCN1c1nc2nc(N3CCNCC3)nc(N3CCCC3)c2nc1Cl

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.72
PDE4B Q07343 11/20 0.72
PDE4C Q08493 11/20 0.72
PDE4D Q08499 11/20 0.72
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HRH1 P35367 1/20 0.40
USP2 O75604 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CASP1 P29466 1/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36
PDE10A Q9Y233 1/20 0.36
MTOR P42345 2/20 0.36

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
SCHEMBL3320022 1.00 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL3320013 1.00 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6397973 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL10709061 0.84 PDE4A (0.97) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL3321848 0.81 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL3324600 0.78 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL3324609 0.78 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL3319161 0.77 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL3326385 0.77 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL3321371 0.76 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DSMN1; SMN2

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.