SCHEMBL6808359

SCHEMBL6808359

COc1ccc(Nc2ncc3ccc(=O)n(C)c3n2)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.74
CCND1 P24385 6/20 0.74
CCND2 P30279 6/20 0.74
CCND3 P30281 6/20 0.74
FGFR1 P11362 2/20 0.52
EGFR P00533 1/20 0.52
CLK4 Q9HAZ1 2/20 0.52
USP2 O75604 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
PTK2 Q05397 10/20 0.50
JAK2 O60674 2/20 0.50
AURKA O14965 1/20 0.50
DAPK3 O43293 1/20 0.50
PAK4 O96013 1/20 0.50
ABL1 P00519 1/20 0.50
NTRK1 P04629 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50

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
SCHEMBL6811976 0.88 PTK2 (0.64) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL6808579 0.85 CDK4 (0.84) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL5267947 0.85 CDK4 (1.00) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL6808597 0.84 CDK4 (0.81) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL6808960 0.83 CDK4 (0.69) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL7502698 0.83 CDK4 (0.79) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL6804139 0.82 CDK4 (0.72) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL6809354 0.82 CDK4 (0.72) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL6807112 0.82 CDK4 (0.79) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL6812852 0.82 CDK4 (0.67) CDK4CCND1CCND2CCND3FGFR1

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-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease BOOTH RICHARD JOHN (US) 2004-11-11 US claimed
US-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease BOOTH RICHARD JOHN (US) 2004-11-11 US disclosed
EP-1255755-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001055148-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2001-08-02 WO 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-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease CDK4, CDKL1, CCNT1 CDK4 1/4885CCND1 23/4885CCND2 25/4885

“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.