SCHEMBL3600779

SCHEMBL3600779

Cc1cc(NC=C(C(=O)O)C(=O)O)n(C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 2/20 0.47
LMNA P02545 3/20 0.46
STAT1 P42224 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
NTRK1 P04629 2/20 0.38
KDM1A O60341 1/20 0.37
MAPT P10636 1/20 0.35
POLB P06746 2/20 0.35
TSHR P16473 1/20 0.35
KCNJ6 P48051 1/20 0.35
KCNJ5 P48544 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
SCHEMBL582277 0.81 GAA (0.72) SMN1; SMN2GAALMNASTAT1MEN1
SCHEMBL3754279 0.80 GAA (0.50) SMN1; SMN2GAALMNASTAT1MEN1
SCHEMBL7095365 0.78 LMNA (0.73) SMN1; SMN2GAALMNASTAT1MEN1
SCHEMBL11627998 0.78 GAA (0.42) SMN1; SMN2GAALMNASTAT1MEN1
SCHEMBL3774089 0.77 SMN1; SMN2 (0.70) SMN1; SMN2GAALMNAMEN1KMT2A
SCHEMBL20413721 0.77 SMN1; SMN2 (0.47) SMN1; SMN2GAALMNASTAT1MEN1
SCHEMBL8245676 0.75 SMN1; SMN2 (0.53) SMN1; SMN2GAALMNASTAT1MEN1
SCHEMBL28620278 0.72 SMN1; SMN2 (0.49) SMN1; SMN2GAAMEN1KMT2AKDM4E
SCHEMBL48934 0.72 SMN1; SMN2 (0.68) SMN1; SMN2GAAMEN1KMT2AKDM4E
SCHEMBL7010818 0.71 LMNA (0.33) SMN1; SMN2GAALMNASTAT1NPSR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420666-B2 Pyrazolo (3, 4-B) pyridine derivatives as phosphodiesterase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2013-04-16 US disclosed
US-20100292196-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-11-18 US disclosed
US-20100022571-A1 SUBSTITUTED PYRAZOLO [3,4-B]PYRIDINES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-28 US disclosed
US-20090306129-A1 SUBSTITUTED PYRAZOLO [3,4-B] PYRIDINES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-12-10 US disclosed
EP-2124944-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-12-02 EP disclosed
WO-2008111010-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-09-18 WO 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 (3 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-20100292196-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE4A, PDE3A SMN1; SMN2 2927/4885GAA 739/4885LMNA 4852/4885
US-20100022571-A1 SUBSTITUTED PYRAZOLO [3,4-B]PYRIDINES AS PHOSPHODIESTERASE INHIBITORS PDE4B, PDE4A, PDE3B SMN1; SMN2 3334/4885GAA 515/4885LMNA 1856/4885
US-20090306129-A1 SUBSTITUTED PYRAZOLO [3,4-B] PYRIDINES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE4B, PDE3A SMN1; SMN2 3334/4885GAA 624/4885LMNA 1653/4885

“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.