SCHEMBL6807439

SCHEMBL6807439

O=c1ccc2cnc(Nc3ccc4cn[nH]c4c3)nc2n1CC1CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.65
CDK4 P11802 14/20 0.61
CCND1 P24385 14/20 0.61
CCND2 P30279 14/20 0.61
CCND3 P30281 14/20 0.61
SYK P43405 2/20 0.48
CCNB2 O95067 1/20 0.47
CCNE2 O96020 1/20 0.47
CDK1 P06493 1/20 0.47
FGFR1 P11362 1/20 0.47
SRC P12931 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNA2 P20248 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR4 P22455 1/20 0.47
FGFR3 P22607 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47

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
SCHEMBL6807695 0.86 CDK4 (0.61) JAK3CDK4CCND1CCND2CCND3
SCHEMBL5265060 0.85 CDK4 (0.66) JAK3CDK4CCND1CCND2CCND3
SCHEMBL6812462 0.84 CDK4 (0.66) JAK3CDK4CCND1CCND2CCND3
SCHEMBL6803846 0.83 CDK4 (0.58) JAK3CDK4CCND1CCND2CCND3
SCHEMBL6813034 0.83 CDK4 (0.60) JAK3CDK4CCND1CCND2CCND3
SCHEMBL6808873 0.82 CDK4 (0.58) JAK3CDK4CCND1CCND2CCND3
SCHEMBL6808770 0.81 CDK4 (0.62) JAK3CDK4CCND1CCND2CCND3
SCHEMBL6804799 0.81 CDK4 (0.67) JAK3CDK4CCND1CCND2CCND3
SCHEMBL6808052 0.81 CDK4 (0.65) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6812560 0.80 CDK4 (0.67) 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 JAK3 1282/4885CDK4 1/4885CCND1 23/4885

“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.