SCHEMBL4772301

SCHEMBL4772301

CCn1ncc2c(-c3ccccc3)c(/C=C/C(=O)O)c(-c3ccccc3)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
KDM4E B2RXH2 3/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
ATM Q13315 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RXRA P19793 1/20 0.38
NR4A1 P22736 1/20 0.38
RXRB P28702 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
BCDIN3D Q7Z5W3 1/20 0.37

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
SCHEMBL4772312 1.00 SMN1; SMN2 (0.39) SMN1; SMN2HPGDNPC1RAB9AMAPK1
SCHEMBL4776157 0.92 TBXAS1 (0.40) SMN1; SMN2HPGDNPC1RAB9AMAPK1
SCHEMBL4776153 0.92 TBXAS1 (0.40) SMN1; SMN2HPGDNPC1RAB9AMAPK1
SCHEMBL1814098 0.89 HPGD (0.36) SMN1; SMN2HPGDNPC1RAB9AMAPK1
SCHEMBL4776350 0.89 HPGD (0.35) SMN1; SMN2HPGDNPC1RAB9AMAPK1
SCHEMBL4776341 0.89 HPGD (0.35) SMN1; SMN2HPGDNPC1RAB9AMAPK1
SCHEMBL1814100 0.89 HPGD (0.36) SMN1; SMN2HPGDNPC1RAB9AMAPK1
SCHEMBL4769674 0.89 NPC1 (0.43) SMN1; SMN2HPGDNPC1RAB9AKDM4E
SCHEMBL4769903 0.88 HPGD (0.34) SMN1; SMN2HPGDNPC1RAB9AMAPK1
SCHEMBL4776264 0.88 SMN1; SMN2 (0.33) SMN1; SMN2HPGDNPC1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459451-B2 e.g. 1-Ethyl-4-(5-methyl-3-pyridyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid; phosphodiesterase (PDE)-IV inhibitor or tumor necrosis factor (TNF)- alpha antagonist; autoimmune diseases, antidepressant, anxiolytic agent; polychondritis, scleroderma, fibrosis, arthritis, Alzheimer's disease ASTELLAS PHARMA INC. (JP) 2008-12-02 US claimed
EP-1763528-B1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-11-26 EP claimed
EP-1763528-A1 PYRAZOLOPYRIDINE DERIVATIVES Astellas Pharma Inc. (JP) 2007-03-21 EP claimed
WO-2006004188-A1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-01-12 WO claimed
US-20060004003-A1 Pyrazolopyridine derivatives ASTELLAS PHARMA INC. (JP) 2006-01-05 US claimed
US-7459451-B2 e.g. 1-Ethyl-4-(5-methyl-3-pyridyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid; phosphodiesterase (PDE)-IV inhibitor or tumor necrosis factor (TNF)- alpha antagonist; autoimmune diseases, antidepressant, anxiolytic agent; polychondritis, scleroderma, fibrosis, arthritis, Alzheimer's disease ASTELLAS PHARMA INC. (JP) 2008-12-02 US disclosed
EP-1763528-B1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-11-26 EP disclosed
EP-1763528-A1 PYRAZOLOPYRIDINE DERIVATIVES Astellas Pharma Inc. (JP) 2007-03-21 EP disclosed
WO-2006004188-A1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-01-12 WO disclosed
US-20060004003-A1 Pyrazolopyridine derivatives ASTELLAS PHARMA INC. (JP) 2006-01-05 US 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-20060004003-A1 Pyrazolopyridine derivatives PDE4A, PDE3B, PDE5A SMN1; SMN2 2957/4885HPGD 420/4885NPC1 4262/4885

“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.