SCHEMBL6802701

SCHEMBL6802701

COc1ccc(C(c2ncccn2)n2c(=O)ccc3cnc(Nc4ccccc4)nc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 18/20 0.61
CCND1 P24385 18/20 0.61
CCND2 P30279 18/20 0.61
CCND3 P30281 18/20 0.61
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
FGFR1 P11362 4/20 0.50
CCNA2 P20248 4/20 0.50
FGFR2 P21802 4/20 0.50
FGFR4 P22455 4/20 0.50
FGFR3 P22607 4/20 0.50
CDK2 P24941 4/20 0.50
CCNB2 O95067 3/20 0.50
CCNE2 O96020 3/20 0.50
CDK1 P06493 3/20 0.50
CCNB1 P14635 3/20 0.50
CCNE1 P24864 3/20 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
SCHEMBL5267373 0.91 CDK4 (0.59) CDK4CCND1CCND2CCND3CYP1A2
SCHEMBL6808803 0.87 CDK4 (0.55) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL6808262 0.87 CDK4 (0.49) CDK4CCND1CCND2CCND3CYP1A2
SCHEMBL6807957 0.86 CDK4 (0.65) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL5265151 0.86 CDK4 (0.69) CDK4CCND1CCND2CCND3CYP1A2
SCHEMBL5267894 0.82 CDK4 (0.75) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL5266416 0.80 CDK4 (0.47) CDK4CCND1CCND2CCND3CYP1A2
SCHEMBL5265487 0.80 CDK4 (0.53) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL5264006 0.79 CDK4 (0.67) CDK4CCND1CCND2CCND3CYP1A2
SCHEMBL5265241 0.79 CDK4 (0.74) 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 1 patent. 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 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.