SCHEMBL3229862

SCHEMBL3229862

CCc1cc2c(C(=O)Oc3ccc([N+](=O)[O-])cc3)ccc(OC)n2n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.51
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 4/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE3A Q14432 2/20 0.42
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
PPARG P37231 1/20 0.41
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
MGLL Q99685 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
SCHEMBL3228227 0.91 PDE4B (0.52) PDE4BALDH1A1KMT2AMAPTHPGD
SCHEMBL3226221 0.85 PDE4B (0.51) PDE4BALDH1A1KMT2AMAPTHPGD
SCHEMBL3230208 0.81 ALDH1A1 (0.47) PDE4BALDH1A1KMT2AMAPTHPGD
SCHEMBL3221880 0.79 MAPT (0.45) ALDH1A1KMT2AMAPTHPGDGAA
SCHEMBL2956927 0.72 PDE4B (0.61) PDE4BPDE3A
SCHEMBL13240896 0.71 PDE4B (0.57) PDE4BPDE3A
SCHEMBL2970613 0.70 PDE4B (0.58) PDE4BPDE3A
SCHEMBL3212468 0.69 PDE4B (0.65) PDE4BPDE3A
SCHEMBL6610918 0.68 MAPT (0.52) ALDH1A1KMT2AMAPTHPGDGAA
SCHEMBL2959745 0.68 PDE4B (0.52) PDE4BALDH1A1PDE3A

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-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

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 PDE4B 9/4885ALDH1A1 170/4885KMT2A 1727/4885

“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.