Sugi Predict

Sugi Predict / Compounds / SCHEMBL4774431

SCHEMBL4774431

SCHEMBL4774431

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ CASP1 P29466 2/20 0.37
▸ CASP7 P55210 2/20 0.37
▸ ATM Q13315 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ADORA1 P30542 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ NR1H3 Q13133 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 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
SCHEMBL4776509 0.89 KDM4E (0.35) KDM4EMAPK1CASP1CASP7ATM
SCHEMBL4774540 0.88 KDM4E (0.35) KDM4EMAPK1CASP1CASP7ATM
SCHEMBL4769903 0.88 HPGD (0.34) KDM4EMAPK1CASP1CASP7ATM
SCHEMBL4769892 0.88 HPGD (0.34) KDM4EMAPK1CASP1CASP7ATM
SCHEMBL4772590 0.87 KDM4E (0.41) KDM4EMAPK1CASP1CASP7ATM
SCHEMBL4777908 0.86 CYP11B1 (0.39) KDM4EMAPK1CASP1CASP7ATM
SCHEMBL4777489 0.85 TBXAS1 (0.44) KDM4EMAPK1CASP1CASP7ATM
SCHEMBL5367661 0.84 KDM4E (0.38) KDM4EMAPK1CASP1CASP7ATM
SCHEMBL4778867 0.83 ADORA2A (0.40) KDM4EMAPK1CASP1CASP7ATM
SCHEMBL27682223 0.83 MAPT (0.38) 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.