SCHEMBL1980199

SCHEMBL1980199

Cn1c(=O)c(S(=O)(=O)c2ccc(O)cc2)cc2cnc([S+](C)[O-])nc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK2 Q9NYY3 6/20 0.55
RIPK2 O43353 3/20 0.40
ACVR1 Q04771 3/20 0.40
FGFR1 P11362 3/20 0.37
SRC P12931 3/20 0.37
ABL1 P00519 2/20 0.37
PDGFRB P09619 2/20 0.37
PDGFRA P16234 2/20 0.37
MAPK14 Q16539 2/20 0.37
NEK2 P51955 1/20 0.37
NEK5 Q6P3R8 1/20 0.37
NEK1 Q96PY6 1/20 0.37
WEE1 P30291 3/20 0.33
EGFR P00533 2/20 0.33
NOD2 Q9HC29 2/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
HTR6 P50406 2/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32

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
SCHEMBL1981355 0.90 PLK2 (0.52) PLK2RIPK2ACVR1FGFR1SRC
SCHEMBL13385778 0.90 PLK2 (0.44) PLK2RIPK2FGFR1SRCABL1
SCHEMBL13385833 0.89 PLK2 (0.44) PLK2RIPK2ACVR1FGFR1NEK2
SCHEMBL1983011 0.87 PLK2 (0.56) PLK2RIPK2FGFR1SRCNEK2
SCHEMBL1980519 0.82 PLK2 (0.43) PLK2RIPK2ACVR1FGFR1SRC
SCHEMBL1985316 0.81 PLK2 (0.55) PLK2RIPK2ACVR1FGFR1SRC
SCHEMBL1981941 0.81 PLK2 (0.56) PLK2MAPK14NEK2NEK5NEK1
SCHEMBL13385888 0.77 ALDH1A1 (0.43) PLK2FGFR1FGFR2FGFR4FGFR3
SCHEMBL1982506 0.76 ALDH1A1 (0.42) PLK2FGFR1SRCEGFRFGFR2
SCHEMBL1982820 0.74 ALDH1A1 (0.39) PLK2

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-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
EP-2512250-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES AND THERAPEUTIC USES THEREOF Temple University - Of The Commonwealth System of Higher Education (US) 2012-10-24 EP disclosed
WO-2011075616-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-06-23 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-20120269831-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES AND THERAPEUTIC USES THEREOF MKI67, CCNA1, FOLR1 PLK2 224/4885RIPK2 4392/4885ACVR1 462/4885

“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.