SCHEMBL4772781

SCHEMBL4772781

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.46
KMT2A Q03164 10/20 0.46
MAPT P10636 8/20 0.43
NPSR1 Q6W5P4 5/20 0.43
LMNA P02545 4/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HSP90AA1 P07900 3/20 0.40
HTT P42858 2/20 0.40
MITF O75030 1/20 0.40
POLB P06746 2/20 0.39
GLO1 Q04760 1/20 0.37
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL4772788 1.00 MEN1 (0.46) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4777961 0.90 MEN1 (0.46) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4777955 0.90 MEN1 (0.46) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4771846 0.87 MEN1 (0.50) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4774521 0.87 MEN1 (0.43) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4771838 0.87 MEN1 (0.50) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4774518 0.87 MEN1 (0.43) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4770004 0.85 MEN1 (0.51) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4770008 0.85 MEN1 (0.51) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4772636 0.85 MEN1 (0.43) 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 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 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.