SCHEMBL4776352

SCHEMBL4776352

CCn1ncc2c(-c3cncc(C)c3)c(CCC(=O)OC)c(-c3ccccc3)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 3/20 0.37
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
PDE4B Q07343 2/20 0.36
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
FAAH O00519 1/20 0.35
POLB P06746 1/20 0.35
CYP11B1 P15538 1/20 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
SCHEMBL4772332 0.91 RXRA (0.40) KMT2ASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL4775036 0.88 TSHR (0.39) KMT2ALMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL27682184 0.84 KDM4E (0.36) KMT2ASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL4769463 0.82 FABP3 (0.38) SMN1; SMN2ALDH1A1KDM4EHPGDTSHR
SCHEMBL4775027 0.82 MEN1 (0.48) KMT2ALMNASMN1; SMN2KDM4ETSHR
SCHEMBL4776633 0.82 GLA (0.34) LMNASMN1; SMN2HCRTR1HCRTR2MAPT
SCHEMBL4776614 0.81 KDM4E (0.46) KMT2ALMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL27682180 0.81 KDM4E (0.36) KMT2AALDH1A1KDM4EHPGDTSHR
SCHEMBL4772269 0.80 LMNA (0.36) KMT2ALMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL1814098 0.80 HPGD (0.36) KMT2ASMN1; SMN2ALDH1A1KDM4EHPGD

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 4 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
CN-1980927-A Pyrazolopyridine derivatives ASTELLAS PHARMA INC (JP) 2007-06-13 CN 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 KMT2A 3727/4885LMNA 3462/4885SMN1; SMN2 2957/4885

“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.