SCHEMBL7895376

SCHEMBL7895376

O=C(C(=O)c1cn(Cc2ccc(F)cc2)c2ncccc12)c1c(Cl)cccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 3/20 0.66
▸ PDE4B Q07343 3/20 0.66
▸ PDE4C Q08493 3/20 0.66
▸ PDE4D Q08499 3/20 0.66
▸ POLB P06746 1/20 0.46
▸ CNR2 P34972 2/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ TP53 P04637 2/20 0.44
▸ RORC P51449 3/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SERPINE1 P05121 1/20 0.41
▸ CFD P00746 1/20 0.40

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
SCHEMBL9278001 0.85 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL5559147 0.85 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DPOLB
Hydrochloric Acid SCHEMBL9278006 0.84 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL5557953 0.83 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DPOLB
Elbimilast SCHEMBL1865431 0.80 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPOLB
Elbimilast SCHEMBL29372217 0.80 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL1860711 0.78 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL5552794 0.77 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DPOLB
Hydrochloric Acid SCHEMBL5557061 0.77 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL5552797 0.77 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DCNR2

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-8580795-B2 Heterocyclic compounds as phosphodiesterase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-11-12 — — US disclosed
US-8580795-B2 Heterocyclic compounds as phosphodiesterase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-11-12 — — US disclosed
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-11-03 — — US disclosed
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-11-03 — — US disclosed
WO-2010084402-A2 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-29 — — 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-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE 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.

Send feedback