SCHEMBL12486011

SCHEMBL12486011

COc1ccccc1-c1ccnc(Nc2cccc(S(C)(=O)=O)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 9/20 0.66
▸ MAP4K4 O95819 3/20 0.66
▸ GSK3A P49840 3/20 0.66
▸ CDK5 Q00535 2/20 0.66
▸ MAPK8 P45983 2/20 0.66
▸ AURKA O14965 1/20 0.66
▸ ABL1 P00519 1/20 0.66
▸ LCK P06239 1/20 0.66
▸ MET P08581 1/20 0.66
▸ PDGFRB P09619 1/20 0.66
▸ FGFR1 P11362 1/20 0.66
▸ FLT1 P17948 1/20 0.66
▸ KDR P35968 1/20 0.66
▸ FLT3 P36888 1/20 0.66
▸ MAPK9 P45984 1/20 0.66
▸ GSK3B P49841 1/20 0.66
▸ ACVR1 Q04771 1/20 0.66
▸ MST1R Q04912 1/20 0.66
▸ TYRO3 Q06418 1/20 0.66
▸ NTRK2 Q16620 1/20 0.66

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
SCHEMBL12487274 0.90 CDK9 (0.70) CDK9MAP4K4GSK3ACDK5MAPK8
SCHEMBL17257720 0.87 CDK9 (0.70) CDK9MAP4K4GSK3ACDK5MAPK8
SCHEMBL12486970 0.86 CDK9 (0.52) CDK9MAP4K4GSK3ACDK5MAPK8
SCHEMBL12486939 0.83 MAPK10 (0.61) CDK9MAPK8AURKAPDGFRBCLK4
SCHEMBL16135445 0.82 MAPK10 (0.54) CDK9MAP4K4GSK3AMAPK8CLK4
SCHEMBL4101973 0.82 CDK9 (0.82) CDK9MAP4K4GSK3ACDK5MAPK8
SCHEMBL27940856 0.82 TNNI3K (0.56) CDK9MAP4K4GSK3ACDK5MAPK8
SCHEMBL12485959 0.81 CDK9 (0.59) CDK9MAP4K4GSK3ACDK5MAPK8
SCHEMBL31060209 0.81 CDK9 (0.72) CDK9MAP4K4GSK3ACDK5MAPK8
SCHEMBL12487298 0.81 CDK9 (0.72) CDK9MAP4K4GSK3ACDK5MAPK8

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 36 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-9242937-B2 Pharmaceutically active disubstituted pyridine derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-26 — — US claimed
EP-2681193-B1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED PYRIDINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2016-01-06 — — 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-20140296304-A1 Pharmaceutically Active Disubstituted Pyridine Derivatives LEAD DISCOVERY CENTER GMBH (DE) 2014-10-02 — — 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
EP-2748331-A1 SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS Lead Discovery Center GmbH (DE) 2014-07-02 — — EP claimed
EP-2747755-A1 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA Lead Discovery Center GmbH (DE) 2014-07-02 — — EP claimed
EP-2681193-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED PYRIDINE DERIVATIVES Lead Discovery Center GmbH (DE) 2014-01-08 — — EP claimed
WO-2013026890-A1 SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2013-02-28 — — WO claimed
WO-2013026874-A1 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA LEAD DISCOVERY CENTER GMBH (DE) 2013-02-28 — — WO 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
WO-2012117059-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED PYRIDINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2012-09-07 — — WO claimed
EP-2748331-B1 SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2016-03-02 — — EP disclosed
US-9242937-B2 Pharmaceutically active disubstituted pyridine derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-26 — — US 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
WO-2012117059-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED PYRIDINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2012-09-07 — — 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-20140296304-A1 Pharmaceutically Active Disubstituted Pyridine Derivatives PINK1, PDPK1, LCK CDK9 324/4885MAP4K4 91/4885GSK3A 212/4885
US-20150329537-A2 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA CDK9, CDK19, CDKN1A CDK9 1/4885MAP4K4 551/4885GSK3A 166/4885
US-20140303167-A1 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA CDK9, CDK19, CDKN1A CDK9 1/4885MAP4K4 551/4885GSK3A 166/4885

“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.

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