SCHEMBL6808960

SCHEMBL6808960

COc1ccc(Nc2ncc3ccc(=O)n(-c4ccccc4)c3n2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 12/20 0.69
CCND1 P24385 12/20 0.69
CCND2 P30279 12/20 0.69
CCND3 P30281 12/20 0.69
FLT3 P36888 2/20 0.52
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK8 P45983 1/20 0.51
MAPK9 P45984 1/20 0.51
USP2 O75604 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
CCNB2 O95067 1/20 0.49
CCNE2 O96020 1/20 0.49
CDK1 P06493 1/20 0.49

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
SCHEMBL6808359 0.83 CDK4 (0.74) CDK4CCND1CCND2CCND3FLT3
SCHEMBL5262825 0.83 CDK4 (1.00) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL5267947 0.81 CDK4 (1.00) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL5265462 0.80 CDK4 (0.83) CDK4CCND1CCND2CCND3CYP1A2
SCHEMBL6812852 0.79 CDK4 (0.67) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL5263388 0.79 CDK4 (0.78) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6808579 0.79 CDK4 (0.84) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL5266234 0.79 CDK4 (0.57) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6808954 0.78 CDK4 (0.67) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6804139 0.78 CDK4 (0.72) CDK4CCND1CCND2CCND3CCNB2

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.