SCHEMBL5118003

SCHEMBL5118003

CCn1ncc2c(-c3cnc4ccccc4c3)c(C=O)c(-c3ccccc3)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.39
MTOR P42345 3/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
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
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
TNNI3 P19429 1/20 0.37
CRHBP P24387 1/20 0.37
TNNT2 P45379 1/20 0.37
TNNC1 P63316 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 1/20 0.37

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
SCHEMBL4777677 0.88 RAB9A (0.46) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4777665 0.88 RAB9A (0.46) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4772590 0.87 KDM4E (0.41) PIK3CAMTORKDM4EMAPK1CASP1
SCHEMBL27682212 0.84 PIK3CA (0.40) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4776509 0.83 KDM4E (0.35) KDM4EMAPK1CASP1CASP7ATM
SCHEMBL27682211 0.83 PDGFRB (0.40) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4778052 0.83 KDM4E (0.38) PIK3CAMTORKDM4EMAPK1CASP1
SCHEMBL4774540 0.82 KDM4E (0.35) PIK3CAMTORKDM4EMAPK1CASP1
SCHEMBL4774431 0.82 KDM4E (0.37) KDM4EMAPK1CASP1CASP7ATM
SCHEMBL4777489 0.81 TBXAS1 (0.44) PIK3CAMTORKDM4EMAPK1CASP1

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-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 PIK3CA 718/4885MTOR 3028/4885PIK3CD 647/4885

“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.