SCHEMBL13385809

SCHEMBL13385809

COc1ccc(Nc2ncc3cc(S(=O)(=O)c4ccccc4)c(=O)n(C4CCCC4)c3n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.58
CCND1 P24385 9/20 0.58
CDK2 P24941 5/20 0.58
CCNA2 P20248 3/20 0.58
MAPK9 P45984 4/20 0.57
NUAK1 O60285 2/20 0.55
PLK2 Q9NYY3 2/20 0.54
CCND3 P30281 4/20 0.52
CCND2 P30279 3/20 0.52
FGFR1 P11362 2/20 0.52
FGFR2 P21802 2/20 0.52
FGFR4 P22455 2/20 0.52
FGFR3 P22607 2/20 0.52
MAPK8 P45983 3/20 0.52
MAPK10 P53779 3/20 0.52
MAPK14 Q16539 1/20 0.51
CDK1 P06493 1/20 0.51
CDK9 P50750 1/20 0.51
CCNE1 P24864 1/20 0.49
CDK6 Q00534 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
SCHEMBL13385837 0.88 NUAK1 (0.65) CDK4CCND1CDK2CCNA2NUAK1
SCHEMBL13385848 0.85 CDK4 (0.68) CDK4CCND1CDK2CCNA2MAPK9
SCHEMBL13385810 0.84 CDK4 (0.64) CDK4CCND1CDK2CCNA2NUAK1
SCHEMBL13554032 0.83 CDK4 (0.70) CDK4CCND1CDK2CCNA2MAPK9
SCHEMBL13385770 0.82 PLK2 (0.73) CDK4CCND1CDK2CCNA2PLK2
SCHEMBL13385796 0.82 CDK2 (0.57) CDK4CCND1CDK2CCNA2CCND3
SCHEMBL3971264 0.78 MAPK9 (0.62) CDK4CCND1CDK2CCNA2MAPK9
SCHEMBL13385911 0.77 CDK4 (0.66) CDK4CCND1CDK2CCNA2MAPK9
SCHEMBL13385755 0.77 KMT2A (0.45) CDK4CCND1CDK2CCNA2PLK2
SCHEMBL13385804 0.77 CDK4 (0.65) CDK4CCND1CDK2CCNA2NUAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889696-B2 Substituted pyrido[2,3-d]pyrimidin-7(8H)-ones and therapeutic uses thereof Temple University—Of the Commonwealth System of Higher Education (US) 2014-11-18 US claimed
US-20120269831-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-10-25 US claimed
US-8889696-B2 Substituted pyrido[2,3-d]pyrimidin-7(8H)-ones and therapeutic uses thereof Temple University—Of the Commonwealth System of Higher Education (US) 2014-11-18 US disclosed
US-8889696-B2 Substituted pyrido[2,3-d]pyrimidin-7(8H)-ones and therapeutic uses thereof Temple University—Of the Commonwealth System of Higher Education (US) 2014-11-18 US disclosed
US-20120269831-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-10-25 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-20120269831-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES AND THERAPEUTIC USES THEREOF MKI67, CCNA1, FOLR1 CDK4 86/4885CCND1 90/4885CDK2 97/4885

“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.