SCHEMBL4774540

SCHEMBL4774540

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
ATM Q13315 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
BCDIN3D Q7Z5W3 1/20 0.32
TBXAS1 P24557 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
TNNI3 P19429 1/20 0.32
CRHBP P24387 1/20 0.32
TNNT2 P45379 1/20 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
SCHEMBL4776509 0.89 KDM4E (0.35) KDM4EMAPK1CASP1CASP7ATM
SCHEMBL4774431 0.88 KDM4E (0.37) KDM4EMAPK1CASP1CASP7ATM
SCHEMBL4776271 0.88 SMN1; SMN2 (0.33) KDM4EMAPK1CASP1CASP7ATM
SCHEMBL4776264 0.88 SMN1; SMN2 (0.33) KDM4EMAPK1CASP1CASP7ATM
SCHEMBL4772590 0.87 KDM4E (0.41) KDM4EMAPK1CASP1CASP7ATM
SCHEMBL4777908 0.86 CYP11B1 (0.39) KDM4EMAPK1CASP1CASP7ATM
SCHEMBL4777489 0.85 TBXAS1 (0.44) KDM4EMAPK1CASP1CASP7ATM
SCHEMBL4770088 0.84 MAPT (0.34) MAPK1ALDH1A1MAPTHSD17B10MEN1
SCHEMBL27682201 0.84 KDM4E (0.36) KDM4EMAPK1CASP1CASP7ATM
SCHEMBL27682198 0.83 NR1H2 (0.37) KDM4EMAPK1CASP1CASP7ATM

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 KDM4E 2228/4885MAPK1 273/4885CASP1 553/4885

“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.