SCHEMBL4137205

SCHEMBL4137205

COc1ccc(CCc2c(Cl)c[n+]([O-])cc2Cl)c2cc(C(F)F)nn12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.46
PDE3A Q14432 5/20 0.40
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
PDE5A O76074 2/20 0.33
PDE4A P27815 2/20 0.33
GPR84 Q9NQS5 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 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
SCHEMBL4122337 0.86 PDE4B (0.58) PDE4BPDE3A
SCHEMBL4115675 0.83 PDE4B (0.61) PDE4BPDE3APDE4A
SCHEMBL4113830 0.81 PDE4B (0.46) PDE4BPDE3APDE4AGPR84PDE4C
SCHEMBL4364429 0.77 PDE4B (0.50) PDE4BPDE3APTGS1PTGS2PDE5A
SCHEMBL4127083 0.69 PDE4B (0.70) PDE4BPDE3A
SCHEMBL4114000 0.67 PDE4B (0.58) PDE4BPDE3A
SCHEMBL4132584 0.67 PDE4B (0.58) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL4114796 0.67 PDE4B (0.59) PDE4BPDE3A
SCHEMBL4114885 0.66 PDE4B (0.72) PDE4BPDE4D
SCHEMBL4127292 0.66 PDE4B (0.53) PDE4BPDE3APDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318385-A1 Pyrazolopyride derivative and phosphodiesterase ( pde) inhibitors containing the same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318385-A1 Pyrazolopyride derivative and phosphodiesterase ( pde) inhibitors containing the same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-12-24 US disclosed
EP-2060572-A1 PYRAZOLOPYRIDINE DERIVATIVE AND PHOSPHODIESTERASE (PDE) INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2009-05-20 EP 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-20090318385-A1 Pyrazolopyride derivative and phosphodiesterase ( pde) inhibitors containing the same as active ingredient PDE3A, PDE5A, PDE3B PDE4B 18/4885PDE3A 1/4885PTGS1 515/4885

“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.