SCHEMBL4777677

SCHEMBL4777677

CCn1ncc2c(-c3cnc4ccccc4c3)c(C=CC(=O)O)c(-c3ccccc3)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
MAP4K4 O95819 1/20 0.37
CSNK1G2 P78368 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
MAP4K5 Q9Y4K4 1/20 0.37
MAT2A P31153 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
GPER1 Q99527 1/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
NPC1 O15118 2/20 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
SCHEMBL4777665 1.00 RAB9A (0.46) RAB9AKDM4EALDH1A1GAAKMT2A
SCHEMBL4772301 0.88 SMN1; SMN2 (0.39) RAB9AKDM4EALDH1A1GAAKMT2A
SCHEMBL4772312 0.88 SMN1; SMN2 (0.39) RAB9AKDM4EALDH1A1GAAKMT2A
SCHEMBL5118003 0.88 PIK3CA (0.39) RAB9AKDM4EALDH1A1KMT2AMEN1
SCHEMBL4776350 0.84 HPGD (0.35) RAB9AKDM4EALDH1A1GAAKMT2A
SCHEMBL1814098 0.84 HPGD (0.36) RAB9AKDM4EALDH1A1KMT2AMEN1
SCHEMBL1814100 0.84 HPGD (0.36) RAB9AKDM4EALDH1A1KMT2AMEN1
SCHEMBL4776341 0.84 HPGD (0.35) RAB9AKDM4EALDH1A1GAAKMT2A
SCHEMBL4769903 0.84 HPGD (0.34) RAB9AKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL4776264 0.84 SMN1; SMN2 (0.33) RAB9AKDM4EALDH1A1GAAKMT2A

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 3 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 disclosed
EP-1763528-B1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-11-26 EP 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 RAB9A 1486/4885KDM4E 2228/4885ALDH1A1 774/4885

“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.