SCHEMBL1992841

SCHEMBL1992841

Cn1c(=O)c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK2 Q9NYY3 7/20 1.00
NEK2 P51955 1/20 1.00
NEK5 Q6P3R8 1/20 1.00
NEK1 Q96PY6 1/20 1.00
KIT P10721 2/20 0.64
LCK P06239 1/20 0.64
FGFR3 P22607 1/20 0.64
FLT3 P36888 1/20 0.64
PLK1 P53350 1/20 0.64
RPS6KA1 Q15418 1/20 0.64
PIM3 Q86V86 1/20 0.64
WNK2 Q9Y3S1 1/20 0.64
RIPK2 O43353 1/20 0.45
NOD2 Q9HC29 1/20 0.45
MAPK14 Q16539 5/20 0.45
EGFR P00533 3/20 0.45
PDGFRB P09619 2/20 0.45
FGFR1 P11362 2/20 0.45
SRC P12931 2/20 0.45
PDGFRA P16234 2/20 0.45

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
SCHEMBL31305062 1.00 PLK2 (1.00) PLK2NEK2NEK5NEK1KIT
SCHEMBL13385843 0.90 PLK2 (1.00) PLK2NEK2NEK5NEK1KIT
SCHEMBL1995285 0.88 PLK2 (0.79) PLK2NEK2NEK5NEK1KIT
SCHEMBL13385789 0.84 PLK2 (0.80) PLK2NEK2NEK5NEK1KIT
SCHEMBL1989414 0.84 PLK2 (1.00) PLK2NEK2NEK5NEK1KIT
SCHEMBL13385884 0.83 PLK2 (0.85) PLK2NEK2NEK5NEK1KIT
SCHEMBL13385852 0.83 PLK2 (1.00) PLK2NEK2NEK5NEK1KIT
SCHEMBL13385769 0.83 PLK2 (0.84) PLK2NEK2NEK5NEK1KIT
SCHEMBL13385811 0.83 PLK2 (0.87) PLK2NEK2NEK5NEK1KIT
SCHEMBL13385894 0.83 PLK2 (0.84) PLK2NEK2NEK5NEK1KIT

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 7 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-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
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 224/4885NEK2 336/4885NEK5 964/4885

“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.