SCHEMBL743842

SCHEMBL743842

COc1cc(OC)c(C2=CCN(C)CC2)c(O)c1C(=O)/C=C/c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CXCL12 P48061 1/20 0.45
ABCG2 Q9UNQ0 2/20 0.45
ABCB1 P08183 6/20 0.44
TDP1 Q9NUW8 1/20 0.44
QDPR P09417 1/20 0.43
NFKB1 P19838 1/20 0.43
DPP4 P27487 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KCNA3 P22001 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 1/20 0.42

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 0.94 NFKB1 (0.50) MAPTNPSR1ABCG2ABCB1TDP1
SCHEMBL748665 0.93 TDP1 (0.54) MAPTNPSR1CXCL12ABCG2ABCB1
SCHEMBL20858990 0.93 MAPT (0.45) MAPTNPSR1CXCL12ABCG2ABCB1
SCHEMBL746718 0.92 MAPT (0.47) MAPTNPSR1CXCL12ABCG2ABCB1
SCHEMBL744120 0.92 ABCB1 (0.52) MAPTNPSR1CXCL12ABCG2ABCB1
SCHEMBL747096 0.92 MAPT (0.59) MAPTNPSR1ABCB1KCNA3
SCHEMBL747095 0.92 MAPT (0.59) MAPTNPSR1ABCB1KCNA3
SCHEMBL743502 0.91 ABCB1 (0.54) MAPTNPSR1ABCG2ABCB1TDP1
SCHEMBL7028113 0.91 MAPT (0.43) MAPTNPSR1CXCL12ABCG2ABCB1
SCHEMBL744175 0.90 MAPT (0.44) MAPTNPSR1ABCG2ABCB1TDP1

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 MAPT 3525/4885NPSR1 4569/4885CXCL12 2187/4885

“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.