SCHEMBL4771838

SCHEMBL4771838

CCOC(=O)/C(=C/c1cncc(Br)c1)C(=O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
MAPT P10636 6/20 0.50
NPSR1 Q6W5P4 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
S1PR4 O95977 1/20 0.50
S1PR1 P21453 1/20 0.50
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MITF O75030 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL4771846 1.00 MEN1 (0.50) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4772781 0.87 MEN1 (0.46) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4772788 0.87 MEN1 (0.46) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4769882 0.86 MEN1 (0.54) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4769877 0.86 MEN1 (0.54) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4774521 0.85 MEN1 (0.43) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4774518 0.85 MEN1 (0.43) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4777885 0.81 MEN1 (0.49) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4777889 0.81 MEN1 (0.49) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4769915 0.79 MEN1 (0.39) MEN1KMT2AMAPTNPSR1LMNA

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 MEN1 3100/4885KMT2A 3727/4885MAPT 2816/4885

“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.