SCHEMBL4778860

SCHEMBL4778860

CCn1ncc2c(-c3cncc(C)c3)c(C=O)c(-c3cc(C)on3)nc21

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4774836 0.88 ALDH1A1 (0.33) SIGMAR1ALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL4774822 0.88 ALDH1A1 (0.33) SIGMAR1ALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL4772479 0.83 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL4776509 0.82 KDM4E (0.35) SIGMAR1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4772232 0.82 MAPT (0.35) SIGMAR1ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL4776092 0.82 SIGMAR1 (0.34) SIGMAR1
SCHEMBL4772676 0.81 ALDH1A1 (0.33) SIGMAR1ALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL4772747 0.81 CYP11B1 (0.36) SIGMAR1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4776510 0.80 SIGMAR1 (0.33) SIGMAR1ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL4772879 0.80 SIGMAR1 (0.34) SIGMAR1ALDH1A1CYP1A2CYP2C19SMN1; SMN2

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-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 SIGMAR1 1838/4885ALDH1A1 774/4885CYP1A2 450/4885

“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.