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SCHEMBL12487249

SCHEMBL12487249

COc1cc(F)ccc1-c1ccnc(Nc2cccc(NS(C)(=O)=O)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 15/20 0.57
▸ CCNT1 O60563 11/20 0.57
▸ CDK1 P06493 6/20 0.57
▸ GSK3A P49840 5/20 0.57
▸ CCNB1 P14635 4/20 0.57
▸ ABL2 P42684 2/20 0.57
▸ MAP4K4 O95819 1/20 0.57
▸ CDK4 P11802 1/20 0.57
▸ CCND1 P24385 1/20 0.57
▸ CDK7 P50613 1/20 0.57
▸ CCNH P51946 1/20 0.57
▸ MNAT1 P51948 1/20 0.57
▸ MEN1 O00255 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CLK4 Q9HAZ1 1/20 0.50

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
SCHEMBL17257720 0.89 CDK9 (0.70) CDK9CCNT1CDK1GSK3ACCNB1
SCHEMBL16135450 0.84 TNIK (0.50) CDK9CCNT1CDK1GSK3ACCNB1
SCHEMBL12485925 0.84 CDK1 (0.59) CDK9CCNT1CDK1GSK3ACCNB1
SCHEMBL8516163 0.84 CDK9 (0.81) CDK9CCNT1CDK1GSK3ACCNB1
SCHEMBL12485951 0.83 CDK9 (0.51) CDK9CCNT1CDK1GSK3ACCNB1
SCHEMBL12487288 0.82 CDK9 (0.67) CDK9CCNT1CDK1GSK3ACCNB1
SCHEMBL12487303 0.82 CDK9 (0.49) CDK9CCNT1CDK1GSK3ACCNB1
SCHEMBL12485937 0.81 CDK9 (0.54) CDK9CCNT1CDK1GSK3ACCNB1
SCHEMBL16564597 0.81 CDK9 (0.63) CDK9CCNT1CDK1GSK3ACCNB1
SCHEMBL12486792 0.81 ABCG2 (0.50) CDK9CCNT1CDK1GSK3ACCNB1

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 35 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-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-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
US-9242937-B2 Pharmaceutically active disubstituted pyridine derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-26 — — US disclosed
EP-2562265-A1 Susceptibility to selective CDK9 inhibitors Lead Discovery Center GmbH (DE) 2013-02-27 — — EP disclosed
EP-2561867-A1 CDK9 inhibitors in the treatment of midline carcinoma 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 3091/4885CDK1 199/4885
US-20150329537-A2 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA CDK9, CDK19, CDKN1A CDK9 1/4885CCNT1 41/4885CDK1 4/4885
US-20140303167-A1 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA CDK9, CDK19, CDKN1A CDK9 1/4885CCNT1 41/4885CDK1 4/4885

“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.