SCHEMBL1719503

SCHEMBL1719503

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.51
PDE4B Q07343 10/20 0.51
PDE4C Q08493 10/20 0.51
PDE4D Q08499 10/20 0.51
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE10A Q9Y233 2/20 0.36
MEN1 O00255 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL291929 0.96 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6395827 0.91 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10707551 0.89 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3322310 0.86 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10706029 0.84 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3319199 0.84 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3537583 0.82 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10706375 0.82 PDE4A (0.37) PDE4APDE4BPDE4CPDE4D
SCHEMBL7930957 0.80 ALDH1A1 (0.44) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10869926 0.79 PDE4A (0.50) 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 17 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
EP-1819708-B1 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-01-11 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-7648988-B2 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2010-01-19 US disclosed
US-7550472-B2 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-23 US disclosed
EP-2032585-A2 SUBSTITUTED PTERIDINES AS THERAPEUTIC AGENTS Boehringer Ingelheim International GmbH (DE) 2009-03-11 EP disclosed
US-20080153833-A1 Substituted pteridines for the treatment of inflammatory diseases DOLLINGER HORST 2008-06-26 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
WO-2007135026-A2 SUBSTITUTED PTERIDINES AS THERAPEUTIC AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-29 WO disclosed
EP-1828189-A1 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2007-09-05 EP disclosed
EP-1819708-A2 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2007-08-22 EP disclosed
WO-2006058868-A2 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-08 WO disclosed
US-20060116370-A1 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-01 US disclosed
US-20060116372-A1 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-01 US disclosed
WO-2006056607-A1 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-01 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 (5 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
US-20060116372-A1 Substituted pteridines for the treatment of inflammatory diseases LTC4S, TLR5, LTB4R2 PDE4A 1428/4885PDE4B 1709/4885PDE4C 1814/4885
US-20060116370-A1 Substituted pteridines for the treatment of inflammatory diseases LTC4S, TLR5, LTB4R2 PDE4A 1428/4885PDE4B 1709/4885PDE4C 1814/4885
US-20080153833-A1 Substituted pteridines for the treatment of inflammatory diseases LTC4S, TLR5, LTB4R2 PDE4A 1428/4885PDE4B 1709/4885PDE4C 1814/4885

“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.