SCHEMBL5265652

SCHEMBL5265652

Cc1cccc(Cn2c(=O)ccc3cnc(Nc4ccc(N5CCCCC5)cc4)nc32)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 16/20 0.70
CCND1 P24385 16/20 0.70
CCND2 P30279 16/20 0.70
CCND3 P30281 16/20 0.70
JAK3 P52333 4/20 0.63
JAK2 O60674 1/20 0.63
EGFR P00533 1/20 0.63
JAK1 P23458 1/20 0.63
TYK2 P29597 1/20 0.63
BTK Q06187 1/20 0.63
CCNE2 O96020 5/20 0.56
CCNA2 P20248 5/20 0.56
CCNE1 P24864 5/20 0.56
CDK2 P24941 5/20 0.56
CCNA1 P78396 5/20 0.56
CCNB2 O95067 4/20 0.56
CDK1 P06493 4/20 0.56
CCNB1 P14635 4/20 0.56
CCNB3 Q8WWL7 4/20 0.56
FGFR1 P11362 3/20 0.51

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
SCHEMBL6803747 0.92 JAK3 (0.73) CDK4CCND1CCND2CCND3JAK3
SCHEMBL5266568 0.89 CDK4 (0.75) CDK4CCND1CCND2CCND3JAK3
SCHEMBL5265915 0.86 CDK4 (0.79) CDK4CCND1CCND2CCND3JAK3
SCHEMBL5263491 0.85 CDK4 (0.78) CDK4CCND1CCND2CCND3JAK3
SCHEMBL5265097 0.84 CDK4 (0.70) CDK4CCND1CCND2CCND3JAK3
SCHEMBL5316292 0.83 CDK4 (0.57) CDK4CCND1CCND2CCND3JAK3
SCHEMBL5267030 0.83 CDK4 (0.71) CDK4CCND1CCND2CCND3JAK3
SCHEMBL5266782 0.82 CDK4 (0.65) CDK4CCND1CCND2CCND3JAK3
SCHEMBL13555616 0.82 JAK3 (0.75) CDK4CCND1CCND2CCND3JAK3
SCHEMBL10192662 0.82 JAK3 (0.72) CDK4CCND1CCND2CCND3JAK3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1806348-A2 Pyrido (2,3-D)Pyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-07-11 EP disclosed
US-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease BOOTH RICHARD JOHN (US) 2004-11-11 US disclosed
US-6498163-B1 POTENT INHIBITORS OF CYCLIN-DEPENDENT KINASES AND GROWTH FACTOR MEDIATED KINASES; CANCER, RESTENOSIS, ATHEROSCLEROSIS WARNER-LAMBERT COMPANY 2002-12-24 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.