SCHEMBL20249286

SCHEMBL20249286

CC(C)(C)c1ccc(O[C@H]2CNCC[C@@H]2F)nn1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 3/20 0.32
CLK3 P49761 3/20 0.32
DYRK1A Q13627 3/20 0.32
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31

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
SCHEMBL20249297 0.90 CLK2 (0.40) CLK2CLK3DYRK1APIM1PIM2
SCHEMBL20249298 0.90 CLK2 (0.40) CLK2CLK3DYRK1APIM1PIM2
SCHEMBL20249281 0.88
SCHEMBL20249279 0.81 CHRNB2 (0.41) CLK2DYRK1APIM1
SCHEMBL20038155 0.80 CLK2 (0.31) CLK2CLK3DYRK1A
SCHEMBL18291620 0.80 BCAT2 (0.34) CLK2CLK3DYRK1A
SCHEMBL20249307 0.78 CHRNB2 (0.35)
SCHEMBL20249485 0.78 CHRNB2 (0.35)
SCHEMBL20249277 0.76 CHRNB2 (0.44) PIM1PIM2
SCHEMBL20249274 0.74 SLC6A2 (0.37)

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 CLK2 751/4885CLK3 1333/4885DYRK1A 286/4885

“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.