SCHEMBL3322669

SCHEMBL3322669

Clc1nc(N2CCCC2)c2nc(Cl)c(OCC3CC3)nc2n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.39
PDE4B Q07343 9/20 0.39
PDE4C Q08493 9/20 0.39
PDE4D Q08499 9/20 0.39
CNR2 P34972 6/20 0.34
NT5E P21589 1/20 0.33
PDE10A Q9Y233 2/20 0.32
SLC29A1 Q99808 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL15876480 0.88 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DNT5E
SCHEMBL3322237 0.83 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL15876482 0.77 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPDE10A
SCHEMBL1719503 0.76 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE10A
SCHEMBL6395827 0.75 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPDE10A
SCHEMBL3957428 0.74 PDE4A (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL10707551 0.73 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE10A
SCHEMBL3322021 0.73 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DPDE10A
SCHEMBL3320281 0.73 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DPDE10A
SCHEMBL3320284 0.73 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DPDE10A

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.