SCHEMBL12485959

SCHEMBL12485959

COc1ccccc1-c1ccnc(Nc2cccc(CCS(N)(=O)=O)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 14/20 0.59
▸ CCNT1 O60563 13/20 0.59
▸ MAP4K4 O95819 3/20 0.59
▸ GSK3A P49840 3/20 0.59
▸ CDK2 P24941 3/20 0.59
▸ CDK1 P06493 2/20 0.59
▸ CDK4 P11802 2/20 0.59
▸ CCNB1 P14635 2/20 0.59
▸ CCND1 P24385 2/20 0.59
▸ ABL2 P42684 2/20 0.59
▸ CDK7 P50613 2/20 0.59
▸ CCNH P51946 2/20 0.59
▸ MNAT1 P51948 2/20 0.59
▸ CDK5 Q00535 2/20 0.59
▸ CCNA2 P20248 1/20 0.59
▸ CCNA1 P78396 1/20 0.59
▸ CDK5R1 Q15078 1/20 0.59
▸ MAPK8 P45983 2/20 0.45
▸ AURKA O14965 1/20 0.45
▸ ABL1 P00519 1/20 0.45

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
SCHEMBL12487298 0.90 CDK9 (0.72) CDK9CCNT1MAP4K4GSK3ACDK2
SCHEMBL31060209 0.90 CDK9 (0.72) CDK9CCNT1MAP4K4GSK3ACDK2
SCHEMBL27952462 0.84 NR3C2 (0.48) CDK9CCNT1MAP4K4GSK3ACDK2
SCHEMBL12487274 0.83 CDK9 (0.70) CDK9CCNT1MAP4K4GSK3ACDK2
SCHEMBL12486011 0.81 CDK9 (0.66) CDK9CCNT1MAP4K4GSK3ACDK2
SCHEMBL12487288 0.81 CDK9 (0.67) CDK9CCNT1MAP4K4GSK3ACDK2
SCHEMBL17257720 0.79 CDK9 (0.70) CDK9CCNT1MAP4K4GSK3ACDK2
SCHEMBL16108038 0.79 CDK9 (0.52) CDK9CCNT1MAP4K4GSK3ACDK2
SCHEMBL12486939 0.78 MAPK10 (0.61) CDK9CCNT1MAPK8AURKAPDGFRB
SCHEMBL12485931 0.78 CCNT1 (0.55) CDK9CCNT1MAP4K4GSK3ACDK2

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-2747755-A1 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA Lead Discovery Center GmbH (DE) 2014-07-02 — — EP claimed
EP-2748331-A1 SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS 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-2013026874-A1 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA LEAD DISCOVERY CENTER GMBH (DE) 2013-02-28 — — WO claimed
WO-2013026890-A1 SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS 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 324/4885CCNT1 3091/4885MAP4K4 91/4885
US-20150329537-A2 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA CDK9, CDK19, CDKN1A CDK9 1/4885CCNT1 41/4885MAP4K4 551/4885
US-20140303167-A1 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA CDK9, CDK19, CDKN1A CDK9 1/4885CCNT1 41/4885MAP4K4 551/4885

“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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