SCHEMBL3321882

SCHEMBL3321882

Clc1nc2c(N3CCCC3)nc(N3CCNCC3)nc2nc1N1CCCC(CN2CCOCC2)C1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.64
PDE4B Q07343 11/20 0.64
PDE4C Q08493 11/20 0.64
PDE4D Q08499 11/20 0.64
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
PRKDC P78527 1/20 0.39
CASP1 P29466 2/20 0.35
CASP4 P49662 2/20 0.35
CASP5 P51878 2/20 0.35
HRH1 P35367 1/20 0.34
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TLR9 Q9NR96 1/20 0.33
POLB P06746 1/20 0.31

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
SCHEMBL10703598 0.81 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6397973 0.80 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10709061 0.79 PDE4A (0.97) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3324600 0.78 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DCASP1
SCHEMBL3324609 0.78 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DCASP1
SCHEMBL3321848 0.76 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DCASP1
SCHEMBL11015990 0.75 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL3321371 0.75 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DCASP1
SCHEMBL10707421 0.74 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10705682 0.74 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DALDH1A1

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.