SCHEMBL2464720

SCHEMBL2464720

NC(=O)c1ccc(Nc2ncnc(-c3ccccc3NC(=O)c3ccccc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.50
MAPK10 P53779 1/20 0.50
AURKA O14965 10/20 0.49
AURKB Q96GD4 4/20 0.48
JAK2 O60674 2/20 0.48
SIRT2 Q8IXJ6 2/20 0.48
BTK Q06187 1/20 0.48
HDAC1 Q13547 1/20 0.46
RPS6KB1 P23443 1/20 0.44
CDK2 P24941 3/20 0.44
CDC7 O00311 2/20 0.44
PIM1 P11309 2/20 0.44
GSK3B P49841 2/20 0.44
HIPK2 Q9H2X6 2/20 0.44
DAPK3 O43293 1/20 0.44
PAK4 O96013 1/20 0.44
FLT3 P36888 1/20 0.44
CDK9 P50750 1/20 0.44
CDK5 Q00535 1/20 0.44
DYRK1A Q13627 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
SCHEMBL14214762 0.76 AURKA (0.52) MAPK8MAPK10AURKAAURKBJAK2
SCHEMBL16353676 0.75 BTK (0.72) BTK
SCHEMBL16343866 0.74 BTK (0.72) JAK2BTKFLT3
SCHEMBL27989495 0.73 BTK (0.57) BTK
SCHEMBL16353545 0.73 BTK (0.71) BTK
SCHEMBL3902965 0.71 KMT2A (0.72) SIRT2KDM4EALDH1A1MAPT
SCHEMBL1664024 0.70 MEN1 (0.59) SIRT2HDAC1MAPT
SCHEMBL17630275 0.69 AURKA (0.54) MAPK8MAPK10AURKAAURKBJAK2
SCHEMBL6067716 0.69 HDAC1 (0.66) HDAC1MAPT
SCHEMBL14214760 0.69 AURKA (0.44) MAPK8MAPK10AURKAAURKBJAK2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748331-B1 SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2016-03-02 EP claimed
US-20150329537-A2 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA LEADDISCOVERY CENTER GMBH (DE) 2015-11-19 US claimed
US-20140303167-A1 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA LEAD DISCOVERY CENTER GMBH (DE) 2014-10-09 US claimed
US-20140287454-A1 SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-09-25 US claimed
US-20130079345-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-28 US claimed
EP-2561867-A1 CDK9 inhibitors in the treatment of midline carcinoma Lead Discovery Center GmbH (DE) 2013-02-27 EP claimed
EP-2562265-A1 Susceptibility to selective CDK9 inhibitors Lead Discovery Center GmbH (DE) 2013-02-27 EP claimed
EP-2550257-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES Lead Discovery Center GmbH (DE) 2013-01-30 EP claimed
WO-2011116951-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2011-09-29 WO claimed
EP-2550257-B1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2016-12-21 EP disclosed
EP-2748331-B1 SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2016-03-02 EP disclosed
US-20150329537-A2 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA LEADDISCOVERY CENTER GMBH (DE) 2015-11-19 US disclosed
US-20150329537-A2 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA LEADDISCOVERY CENTER GMBH (DE) 2015-11-19 US disclosed
US-20150329537-A2 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA LEADDISCOVERY CENTER GMBH (DE) 2015-11-19 US disclosed
WO-2013026874-A1 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA LEAD DISCOVERY CENTER GMBH (DE) 2013-02-28 WO disclosed
WO-2013026890-A1 SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2013-02-28 WO disclosed
EP-2561867-A1 CDK9 inhibitors in the treatment of midline carcinoma Lead Discovery Center GmbH (DE) 2013-02-27 EP disclosed
EP-2562265-A1 Susceptibility to selective CDK9 inhibitors Lead Discovery Center GmbH (DE) 2013-02-27 EP disclosed
EP-2550257-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES Lead Discovery Center GmbH (DE) 2013-01-30 EP disclosed
WO-2011116951-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2011-09-29 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 (3 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-20130079345-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES PDE5A, TESK2, PAK5 MAPK8 259/4885MAPK10 340/4885AURKA 739/4885
US-20150329537-A2 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA CDK9, CDK19, CDKN1A MAPK8 676/4885MAPK10 466/4885AURKA 92/4885
US-20140303167-A1 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA CDK9, CDK19, CDKN1A MAPK8 676/4885MAPK10 466/4885AURKA 92/4885

“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.