SCHEMBL3222801

SCHEMBL3222801

CCOC(=O)c1c(CC)nn2c(OC)ccc(CO)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.41
ADORA3 P0DMS8 2/20 0.39
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
DGAT1 O75907 1/20 0.36
SOAT1 P35610 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
LMNA P02545 2/20 0.35
F10 P00742 1/20 0.35
ELANE P08246 1/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3218428 0.86 PDE4B (0.32) PDE4DMAPTCA12CA1CA2
SCHEMBL13851079 0.86 ADORA3 (0.41) PDE4DADORA3ALDH1A1DGAT1SOAT1
SCHEMBL2170335 0.84 PDE4D (0.42) PDE4DADORA3ALDH1A1MAPTPOLB
SCHEMBL3219443 0.83 PLAT (0.43) PDE4DADORA3ALDH1A1MAPTDGAT1
SCHEMBL2967367 0.81 PDE4D (0.38) PDE4DADORA3ALDH1A1MAPTDGAT1
SCHEMBL3216758 0.80 ADORA3 (0.34) PDE4DADORA3ALDH1A1MAPTDGAT1
SCHEMBL14684504 0.79 PDE4D (0.36) PDE4DADORA3ALDH1A1MAPTDGAT1
SCHEMBL3203987 0.76 ALDH1A1 (0.46) ALDH1A1MAPTPOLBLMNAHSD17B10
SCHEMBL3226491 0.76 PDE4D (0.42) PDE4DADORA3ALDH1A1MAPTGAA
SCHEMBL3225581 0.72 PDE4D (0.38) PDE4DADORA3ALDH1A1MAPTPOLB

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 8 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-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 PDE4D 16/4885ADORA3 775/4885ALDH1A1 209/4885
US-20100056791-A1 Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same PDE5A, PDE3A, PDE2A PDE4D 8/4885ADORA3 1173/4885ALDH1A1 170/4885

“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.