SCHEMBL3210906

SCHEMBL3210906

COc1ccc(CO)c2cc(CO)nn12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.43
CXCR2 P25025 1/20 0.42
PDE3A Q14432 3/20 0.40
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36

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
SCHEMBL3217750 0.91 PDE4B (0.50) PDE4BCXCR2PDE3A
SCHEMBL3219095 0.82 PDE4B (0.51) PDE4BPDE3A
SCHEMBL3228256 0.80 PDE4B (0.50) PDE4BPDE3A
SCHEMBL3212482 0.80 PDE4B (0.50) PDE4BPDE3A
SCHEMBL3207433 0.80 PDE4B (0.67) PDE4BPDE3A
SCHEMBL3215624 0.80 PDE4B (0.50) PDE4BCXCR2PDE3A
SCHEMBL3222862 0.80 PDE4B (0.51) PDE4BPDE3A
SCHEMBL2968417 0.77 PDE4B (0.55) PDE4BPDE3A
SCHEMBL3207810 0.77 NPC1 (0.39) PDE4BCXCR2PDE3A
SCHEMBL3212270 0.77 NPC1 (0.39) PDE4BPDE3A

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-20100056791-A1 Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 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
EP-2058310-A1 PYRAZOLOPYRIDINE CARBOXAMIDE DERIVATIVE AND PHOSPHODIESTERASE (PDE) INHIBITOR COMPRISING THE DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2009-05-13 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 (2 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 18/4885CXCR2 2939/4885PDE3A 1/4885
US-20100056791-A1 Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same PDE5A, PDE3A, PDE2A PDE4B 9/4885CXCR2 3676/4885PDE3A 2/4885

“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.