SCHEMBL20037635

SCHEMBL20037635

CC(C)(C)[Si](C)(C)OCCCS(=O)(=O)c1ccc(N)nc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
GCK P35557 12/20 0.39
GCKR Q14397 12/20 0.39
DUT P33316 1/20 0.36
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 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
SCHEMBL2409408 0.79 PLCG1 (0.42) KDM4ECA12CA1CA2CA9
SCHEMBL13254524 0.78 PSIP1 (0.42) DUTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL20037740 0.77 DUT (0.37) KDM4ECA12CA1CA2CA9
SCHEMBL15527620 0.76 KDM4E (0.51) KDM4ECA12CA1CA2CA9
SCHEMBL20255383 0.76 DUT (0.36) KDM4EDUTALDH1A1ALOX5APFEN1
SCHEMBL18291212 0.75 DUT (0.38) KDM4EDUTALDH1A1ALOX5APFEN1
SCHEMBL20037741 0.71 GABRP (0.39) KDM4ECA12CA1CA2CA9
SCHEMBL16964112 0.71 CA12 (0.37) KDM4ECA12CA1CA2CA9
SCHEMBL611200 0.70 KDM4E (0.60) KDM4EGCKGCKR
SCHEMBL27046413 0.70 DUT (0.39) DUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 KDM4E 470/4885CA12 4577/4885CA1 4753/4885

“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.