SCHEMBL20249191

SCHEMBL20249191

CC(C)(C)c1ccc(OCCC(N)=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CDK8 P49336 1/20 0.41
CDK5 Q00535 1/20 0.41
MAPK14 Q16539 1/20 0.41
PDK2 Q15119 1/20 0.40
GPR35 Q9HC97 1/20 0.39
LTA4H P09960 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL20249203 0.79 CYP3A4 (0.47) ALDH1A1
SCHEMBL20249214 0.78 CYP3A4 (0.39) PDK2CYP4F2CYP4A11
SCHEMBL29177428 0.78 KMT2A (0.40) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL25888663 0.77 CA12 (0.47) L3MBTL1LTA4HMEN1KMT2ACA12
SCHEMBL20128692 0.77 CA12 (0.47) LTA4HKMT2ACA12CA1CA2
SCHEMBL3787327 0.76 SMN1; SMN2 (0.60) MEN1KMT2ACYP4F2CYP4A11MAPT
SCHEMBL20325139 0.76 CA12 (0.43) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL22043410 0.76 CBFB (0.40)
SCHEMBL881471 0.75 L3MBTL1 (0.70) L3MBTL1LTA4HMEN1KMT2A
SCHEMBL20249178 0.75 ALDH1A1 (0.47) L3MBTL1MEN1KMT2ACA1CA2

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 L3MBTL1 3990/4885CSNK1A1 57/4885CDK8 10/4885

“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.