SCHEMBL20249137

SCHEMBL20249137

CC(C)(C)c1ccc(N2CCOCC2=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.46
F10 P00742 3/20 0.42
TYK2 P29597 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
MTOR P42345 2/20 0.38

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
SCHEMBL8285973 0.81 PTGS2 (0.48) PTGS2F10TYK2JAK2JAK1
SCHEMBL23768205 0.80 TYK2 (0.46) PTGS2F10TYK2JAK2JAK1
SCHEMBL17688868 0.80 DGAT1 (0.41) MTOR
SCHEMBL2343226 0.80 F10 (0.49) PTGS2F10TYK2JAK2JAK1
SCHEMBL29462406 0.80 F10 (0.49) PTGS2F10TYK2JAK2JAK1
SCHEMBL17207184 0.78 AKR1C3 (0.51)
SCHEMBL3297140 0.78 PTGS2 (0.48) PTGS2F10TYK2JAK2JAK1
SCHEMBL28362833 0.78 F10 (0.53) PTGS2F10
SCHEMBL30253118 0.78 PTGS2 (0.48) PTGS2F10TYK2JAK2JAK1
SCHEMBL20038363 0.78 PTGS2 (0.47) PTGS2F10TYK2JAK2JAK1

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
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 PTGS2 3212/4885F10 3694/4885TYK2 164/4885

“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.