SCHEMBL3203863

SCHEMBL3203863

COc1ccc(C(=O)O)c2cc(COC3CCCCO3)nn12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.44
CREBBP Q92793 2/20 0.41
EP300 Q09472 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ICAM1 P05362 1/20 0.37
SELE P16581 1/20 0.37
PDE3A Q14432 1/20 0.35

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
SCHEMBL13240799 0.90 PDE4B (0.43) PDE4BCREBBPEP300MEN1KMT2A
SCHEMBL3226376 0.85 NPC1 (0.38) PDE4BCREBBPEP300MEN1KMT2A
SCHEMBL3212270 0.84 NPC1 (0.39) PDE4BCREBBPEP300MEN1KMT2A
SCHEMBL13425113 0.83 PDE4B (0.70) PDE4B
SCHEMBL13851330 0.81 PDE4B (0.64) PDE4B
SCHEMBL3207810 0.80 NPC1 (0.39) PDE4BCREBBPEP300MEN1KMT2A
SCHEMBL3221313 0.79 PDE4B (0.64) PDE4BPDE3A
SCHEMBL2960864 0.75 PDE4B (0.63) PDE4BPDE3A
SCHEMBL3222862 0.75 PDE4B (0.51) PDE4BPDE3A
SCHEMBL3219605 0.73 PDE4B (0.39) PDE4BCREBBPEP300MEN1KMT2A

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 7 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-20100056791-A1 Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
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
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-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 18/4885CREBBP 2111/4885EP300 1878/4885
US-20100056791-A1 Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same PDE5A, PDE3A, PDE2A PDE4B 9/4885CREBBP 778/4885EP300 1878/4885

“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.