SCHEMBL743362

SCHEMBL743362

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QDPR P09417 4/20 0.50
CYP3A4 P08684 2/20 0.47
CDK4 P11802 3/20 0.42
CCND1 P24385 3/20 0.42
CCNT1 O60563 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42
CCNH P51946 1/20 0.42
MNAT1 P51948 1/20 0.42
CDK6 Q00534 1/20 0.42
TGFBR1 P36897 1/20 0.38
ACVR1 Q04771 1/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7027301 0.88 QDPR (0.46) QDPRCYP3A4CDK4CCND1CCNT1
SCHEMBL3710256 0.86 QDPR (0.46) QDPRCDK4CCND1CCNT1CCNA2
SCHEMBL745937 0.80 NFKB1 (0.50) QDPR
SCHEMBL28848515 0.80 QDPR (0.43) QDPRCYP3A4CDK4CCND1CCNT1
SCHEMBL747096 0.80 MAPT (0.59) CYP3A4
SCHEMBL744780 0.80 ABCB1 (0.51) SMN1; SMN2
SCHEMBL743842 0.80 MAPT (0.48) QDPR
SCHEMBL748665 0.79 TDP1 (0.54) CYP3A4
SCHEMBL746910 0.79 ABCG2 (0.54) CYP3A4
SCHEMBL744120 0.78 ABCB1 (0.52) QDPR

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
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
US-7339061-B2 3-(4-oxo-4H-chromen-2-yl)-(1H)-quinolin-4-one derivatives, method for preparing same and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2008-03-04 US disclosed
US-20060063801-A1 Novel 3-(4-oxo-4h-chromen-2-yl)-(1H)-quinolin-4-one derivatives, method for preparing same and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2006-03-23 US disclosed
EP-1513833-A1 NOVEL 3-(4-OXO-4H-CHROMEN-2-YL)-(1H)-QUINOLINE-4-ONE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2005-03-16 EP disclosed
WO-2004000834-A1 NOVEL 3-(4-OXO-4H-CHROMEN-2-YL)-(1H)-QUINOLINE-4-ONE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2003-12-31 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 (2 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 QDPR 2638/4885CYP3A4 4112/4885CDK4 3/4885
US-20060063801-A1 Novel 3-(4-oxo-4h-chromen-2-yl)-(1H)-quinolin-4-one derivatives, method for preparing same and pharmaceutical compositions containing same H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, RB1 QDPR 209/4885CYP3A4 31/4885CDK4 185/4885

“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.