SCHEMBL4776022

SCHEMBL4776022

CCOC(=O)CCc1c(C)nc2c(cnn2C)c1-c1cncc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 6/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.38
KDM4E B2RXH2 6/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
POLB P06746 3/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 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
SCHEMBL4775015 0.88 GLA (0.41) KMT2AMEN1LMNAKDM4EHPGD
SCHEMBL4772765 0.83 SMN1; SMN2 (0.43) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL4775036 0.81 TSHR (0.39) TSHRRXFP1KMT2AMEN1LMNA
SCHEMBL27682185 0.81 SIGMAR1 (0.37) KMT2AMEN1
SCHEMBL4777643 0.80 ALDH1A1 (0.41) TSHRRXFP1L3MBTL1KMT2AMEN1
SCHEMBL4776419 0.79 TSHR (0.36) TSHRRXFP1L3MBTL1KMT2AMEN1
SCHEMBL4772269 0.79 LMNA (0.36) TSHRRXFP1L3MBTL1KMT2AMEN1
SCHEMBL4772453 0.79 MEN1 (0.36) TSHRRXFP1L3MBTL1KMT2AMEN1
SCHEMBL4775096 0.78 HSD17B10 (0.37) TSHRRXFP1L3MBTL1KMT2AMEN1
SCHEMBL4772262 0.78 TSHR (0.41) TSHRRXFP1L3MBTL1KMT2AMEN1

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 TSHR 1221/4885RXFP1 253/4885L3MBTL1 4832/4885

“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.