SCHEMBL748665

SCHEMBL748665

COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)c(C3=CCN(C)CC3)c2O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
ABCG2 Q9UNQ0 4/20 0.52
ABCB1 P08183 3/20 0.52
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NFKB1 P19838 1/20 0.47
DPP4 P27487 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SLC5A1 P13866 1/20 0.47
SLC5A2 P31639 1/20 0.47
MKNK2 Q9HBH9 1/20 0.46
TNFRSF1A P19438 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PIK3CD O00329 1/20 0.45
PIK3R1 P27986 1/20 0.45
PIK3CG P48736 1/20 0.45
CXCL12 P48061 1/20 0.44
F3 P13726 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
SCHEMBL745937 0.93 NFKB1 (0.50) TDP1ABCG2ABCB1MAPTNPSR1
SCHEMBL743842 0.93 MAPT (0.48) TDP1ABCG2ABCB1MAPTNPSR1
SCHEMBL744120 0.91 ABCB1 (0.52) TDP1ABCG2ABCB1MAPTNPSR1
SCHEMBL746718 0.91 MAPT (0.47) TDP1ABCG2ABCB1MAPTNPSR1
SCHEMBL747096 0.91 MAPT (0.59) ABCB1MAPTNPSR1TNFRSF1AKMT2A
SCHEMBL747095 0.91 MAPT (0.59) ABCB1MAPTNPSR1TNFRSF1AKMT2A
SCHEMBL7030660 0.91 TDP1 (0.50) TDP1ABCG2ABCB1MAPTNPSR1
SCHEMBL743502 0.90 ABCB1 (0.54) TDP1ABCG2ABCB1MAPTNPSR1
SCHEMBL746910 0.90 ABCG2 (0.54) ABCG2ABCB1MAPTNPSR1CYP3A4
SCHEMBL744175 0.89 MAPT (0.44) TDP1ABCG2ABCB1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121692-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER SHANDONG UNIVERSITY (CN) 2012-05-17 US claimed
EP-2429292-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR THE TREATMENT OF CANCER Georgia State University Research Foundation, Inc. (US) 2012-03-21 EP claimed
WO-2010129858-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR THE TREATMENT OF CANCER GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-11-11 WO claimed
EP-2429292-B1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER GEORGIA STATE UNIV RESEARCH FOUNDATION (US) 2019-04-03 EP disclosed
EP-2429292-B1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER GEORGIA STATE UNIV RESEARCH FOUNDATION (US) 2019-04-03 EP disclosed
US-20120121692-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER SHANDONG UNIVERSITY (CN) 2012-05-17 US disclosed
US-20120121692-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER SHANDONG UNIVERSITY (CN) 2012-05-17 US disclosed
EP-2429292-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR THE TREATMENT OF CANCER Georgia State University Research Foundation, Inc. (US) 2012-03-21 EP disclosed
WO-2010129858-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR THE TREATMENT OF CANCER GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-11-11 WO 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-20120121692-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER CDK6, CDK5, CDK4 TDP1 469/4885ABCG2 2761/4885ABCB1 2307/4885

“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.