SCHEMBL3221880

SCHEMBL3221880

CCc1cc2c(C(=O)Oc3ccc([N+](=O)[O-])cc3)cccn2n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
PPARG P37231 1/20 0.44
KMT2A Q03164 4/20 0.44
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
GAA P10253 4/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.39
MGLL Q99685 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3229862 0.79 PDE4B (0.51) MAPTALDH1A1KDM4EPPARGKMT2A
SCHEMBL2963896 0.72 HSP90AB1 (0.35) MAPTALDH1A1KMT2ASMN1; SMN2TP53
SCHEMBL3228227 0.70 PDE4B (0.52) MAPTALDH1A1KDM4EPPARGKMT2A
SCHEMBL754748 0.69 KMT2A (0.59) MAPTALDH1A1KDM4EPPARGKMT2A
SCHEMBL28659908 0.68 ALDH1A1 (0.52) MAPTALDH1A1KDM4EPPARGKMT2A
SCHEMBL2823735 0.67 ALDH1A1 (0.68) MAPTALDH1A1KDM4EPPARGKMT2A
SCHEMBL28491071 0.67 KMT2A (0.62) MAPTALDH1A1KDM4EPPARGKMT2A
SCHEMBL11873963 0.66 ALDH1A1 (0.55) MAPTALDH1A1KDM4EPPARGKMT2A
SCHEMBL4256409 0.66 RAB9A (0.64) MAPTALDH1A1KDM4EPPARGKMT2A
SCHEMBL30258384 0.66 RAB9A (0.64) MAPTALDH1A1KDM4EPPARGKMT2A

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-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
EP-2058310-A1 PYRAZOLOPYRIDINE CARBOXAMIDE DERIVATIVE AND PHOSPHODIESTERASE (PDE) INHIBITOR COMPRISING THE DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2009-05-13 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 (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-20100056791-A1 Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same PDE5A, PDE3A, PDE2A MAPT 4311/4885ALDH1A1 170/4885KDM4E 749/4885

“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.