SCHEMBL4775015

SCHEMBL4775015

Cc1cncc(-c2c(CCC(=O)O)c(C)nc3c2cnn3C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 4/20 0.37
DPP4 P27487 1/20 0.36
PTGS2 P35354 2/20 0.35
PTGES O14684 1/20 0.35
KDM4E B2RXH2 5/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
POLB P06746 1/20 0.34
FFAR1 O14842 1/20 0.33
KMO O15229 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
EGFR P00533 2/20 0.32

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
SCHEMBL4776022 0.88 TSHR (0.43) MEN1KMT2AHSD17B10KDM4ENPSR1
SCHEMBL4772343 0.87 GLA (0.40) GLAMEN1KMT2AHSD17B10DPP4
SCHEMBL27682185 0.84 SIGMAR1 (0.37) MEN1KMT2ASIGMAR1
SCHEMBL4772765 0.78 SMN1; SMN2 (0.43) MEN1KMT2AHSD17B10KDM4ENPSR1
SCHEMBL4777593 0.77 GLA (0.39) GLAMEN1KMT2AHSD17B10KDM4E
SCHEMBL4778082 0.77 SLC22A12 (0.35) GLAMEN1KMT2AHSD17B10DPP4
SCHEMBL4775036 0.76 TSHR (0.39) MEN1KMT2AHSD17B10NPSR1ALDH1A1
SCHEMBL4777556 0.76 KMO (0.33) GLAMEN1KMT2AHSD17B10DPP4
SCHEMBL4775024 0.76 ALDH1A1 (0.38) DPP4KDM4EALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL4775029 0.76 ALDH1A1 (0.38) DPP4KDM4EALDH1A1SMN1; SMN2SIGMAR1

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 GLA 1694/4885MEN1 3100/4885KMT2A 3727/4885

“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.