SCHEMBL1990994

SCHEMBL1990994

O=c1c(S(=O)(=O)c2ccc(Cl)cc2)cc2cnc(Nc3ccc4[nH]ccc4c3)nc2n1C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK2 Q9NYY3 7/20 0.61
NEK2 P51955 1/20 0.52
NEK5 Q6P3R8 1/20 0.52
NEK1 Q96PY6 1/20 0.52
CDK4 P11802 11/20 0.47
CCND1 P24385 11/20 0.47
CDK2 P24941 11/20 0.45
CCNA2 P20248 9/20 0.45
FGFR3 P22607 7/20 0.45
FGFR1 P11362 7/20 0.45
FGFR2 P21802 6/20 0.45
FGFR4 P22455 6/20 0.45
CCND2 P30279 1/20 0.44
CCND3 P30281 1/20 0.44
CCNA1 P78396 1/20 0.44
CDK1 P06493 2/20 0.43
CDK9 P50750 2/20 0.43
FLT3 P36888 2/20 0.43
LCK P06239 1/20 0.43
KIT P10721 1/20 0.43

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
SCHEMBL13385770 0.91 PLK2 (0.73) PLK2NEK2NEK5NEK1CDK4
SCHEMBL13554019 0.86 CDK4 (0.57) PLK2CDK4CCND1CDK2CCNA2
SCHEMBL13385766 0.85 PLK2 (0.62) PLK2CDK4CCND1CDK2CCNA2
SCHEMBL13385894 0.84 PLK2 (0.84) PLK2NEK2NEK5NEK1FGFR3
SCHEMBL1990996 0.83 PLK2 (0.71) PLK2NEK2NEK5NEK1CDK4
SCHEMBL13385856 0.81 CDK4 (0.61) CDK4CCND1CDK2CCNA2FGFR3
SCHEMBL13385804 0.81 CDK4 (0.65) CDK4CCND1CDK2CCNA2FGFR3
SCHEMBL13385911 0.80 CDK4 (0.66) CDK4CCND1CDK2CCNA2FGFR3
SCHEMBL13554026 0.79 CDK4 (0.67) PLK2CDK4CCND1CDK2CCNA2
SCHEMBL6804761 0.78 CCND1 (0.66) CDK4CCND1CDK2CCNA2FGFR3

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 8 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
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 claimed
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 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

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.