SCHEMBL20249492

SCHEMBL20249492

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
HTT P42858 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
PKM P14618 2/20 0.50
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
ROCK2 O75116 2/20 0.44
MAP4K4 O95819 2/20 0.44
PIM1 P11309 2/20 0.44
PRKACA P17612 2/20 0.44
CDK2 P24941 2/20 0.44
GSK3B P49841 2/20 0.44
HIPK2 Q9H2X6 2/20 0.44
DYRK3 O43781 1/20 0.44
PRKD3 O94806 1/20 0.44
CDK1 P06493 1/20 0.44
ROS1 P08922 1/20 0.44

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
SCHEMBL18291308 0.81 ALDH1A1 (0.55) ALDH1A1HTTMEN1KMT2APKM
SCHEMBL20038250 0.80 CHRNB2 (0.53) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL18291350 0.79 ALDH1A1 (0.54) ALDH1A1HTTMEN1KMT2APKM
SCHEMBL20038329 0.79 ALDH1A1 (0.54) ALDH1A1HTTMEN1KMT2APKM
SCHEMBL20234786 0.79 HTR1B (0.50) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL17069871 0.79 ALDH1A1 (0.60) ALDH1A1HTTMEN1KMT2APKM
SCHEMBL18591780 0.78 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4ECA12
SCHEMBL10191940 0.77 ALDH1A1 (0.65) ALDH1A1HTTMEN1KMT2APKM
SCHEMBL20128692 0.75 CA12 (0.47) KMT2AKDM4EMAPTNPC1TSHR
SCHEMBL25888663 0.75 CA12 (0.47) ALDH1A1HTTMEN1KMT2AMAPT

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 ALDH1A1 944/4885HTT 3754/4885MEN1 2609/4885

“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.