SCHEMBL3957428

SCHEMBL3957428

Clc1nc(N2CCCC2)c2nc(Cl)c(OCc3ccsc3)nc2n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.40
PDE4B Q07343 12/20 0.40
PDE4C Q08493 12/20 0.40
PDE4D Q08499 12/20 0.40
HRH4 Q9H3N8 4/20 0.33
KIT P10721 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
LTA4H P09960 1/20 0.32
PTGS2 P35354 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
SCHEMBL357498 0.74 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL3322669 0.74 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL15876480 0.72 PDE4A (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL1719503 0.70 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL6395827 0.69 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL10707551 0.68 PDE4A (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL291929 0.67 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL3095331 0.67 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL15876482 0.66 PDE4A (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL3322310 0.66 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550472-B2 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-23 US disclosed
EP-1828189-A1 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2007-09-05 EP 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 (1 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-20060116372-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.