SCHEMBL292370

SCHEMBL292370

Clc1nc2c(N3CCC3)nc(N3CCNCC3)nc2nc1OCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.62
PDE4B Q07343 11/20 0.62
PDE4C Q08493 11/20 0.62
PDE4D Q08499 11/20 0.62
HTR2C P28335 1/20 0.41
CETP P11597 3/20 0.41
HRH4 Q9H3N8 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
HTR6 P50406 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL292108 0.91 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL357498 0.85 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL291798 0.78 PDE4A (0.96) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL3322428 0.77 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL3322237 0.77 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL292710 0.77 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL29824397 0.77 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL3322406 0.74 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DCETP
SCHEMBL16160252 0.74 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL6397973 0.73 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029600-B1 SUBSTITUTED PTERIDINES SUBSTITUTED WITH A FOUR-MEMBERED HETEROCYCLE BOEHRINGER INGELHEIM INT (DE) 2012-03-14 EP disclosed
EP-2029600-B1 SUBSTITUTED PTERIDINES SUBSTITUTED WITH A FOUR-MEMBERED HETEROCYCLE BOEHRINGER INGELHEIM INT (DE) 2012-03-14 EP disclosed
US-20100234347-A1 Substituted Pteridines substituted with a Four-Membered Heterocycle BOEHRINGER INGELHEIM INTERNATIONL GMBH (DE) 2010-09-16 US disclosed
US-20100234347-A1 Substituted Pteridines substituted with a Four-Membered Heterocycle BOEHRINGER INGELHEIM INTERNATIONL GMBH (DE) 2010-09-16 US disclosed
US-20100234347-A1 Substituted Pteridines substituted with a Four-Membered Heterocycle BOEHRINGER INGELHEIM INTERNATIONL GMBH (DE) 2010-09-16 US disclosed
WO-2007135027-A1 SUBSTITUTED PTERIDINES SUBSTITUTED WITH A FOUR-MEMBERED HETEROCYCLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-29 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-20100234347-A1 Substituted Pteridines substituted with a Four-Membered Heterocycle UACA, LTC4S, PMP22 PDE4A 1509/4885PDE4B 1446/4885PDE4C 1569/4885

“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.