SCHEMBL4778098

SCHEMBL4778098

CCOC(=O)c1c(C)nc2c(cnn2CC)c1-c1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPT P10636 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GMNN O75496 1/20 0.53
USP2 O75604 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
THPO P40225 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53

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
SCHEMBL5123696 0.83 LMNA (0.55) ALDH1A1MAPTNPSR1LMNASMN1; SMN2
SCHEMBL4769974 0.81 SMN1; SMN2 (0.52) ALDH1A1MAPTNPSR1LMNASMN1; SMN2
SCHEMBL221404 0.81 ALDH1A1 (0.63) ALDH1A1MAPTNPSR1LMNASMN1; SMN2
SCHEMBL4778936 0.80 ALDH1A1 (0.53) ALDH1A1MAPTNPSR1LMNASMN1; SMN2
SCHEMBL4771665 0.78 SMN1; SMN2 (0.51) ALDH1A1MAPTNPSR1LMNASMN1; SMN2
SCHEMBL10960979 0.77 ALDH1A1 (0.64) ALDH1A1MAPTNPSR1LMNASMN1; SMN2
SCHEMBL3321046 0.76 FABP3 (0.56) ALDH1A1MAPTNPSR1LMNASMN1; SMN2
SCHEMBL1055961 0.76
SCHEMBL4778962 0.75 LMNA (0.54) ALDH1A1MAPTNPSR1LMNASMN1; SMN2
SCHEMBL4774023 0.75 MAPT (0.56) ALDH1A1MAPTNPSR1LMNASMN1; 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 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 ALDH1A1 774/4885MAPT 2816/4885NPSR1 1241/4885

“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.