SCHEMBL12487298

SCHEMBL12487298

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 16/20 0.72
▸ CCNT1 O60563 15/20 0.72
▸ CDK2 P24941 4/20 0.72
▸ GSK3A P49840 4/20 0.72
▸ MAP4K4 O95819 3/20 0.72
▸ CDK1 P06493 3/20 0.72
▸ CCNB1 P14635 3/20 0.72
▸ ABL2 P42684 3/20 0.72
▸ CDK5 Q00535 3/20 0.72
▸ CDK4 P11802 2/20 0.72
▸ CCND1 P24385 2/20 0.72
▸ CDK7 P50613 2/20 0.72
▸ CCNH P51946 2/20 0.72
▸ MNAT1 P51948 2/20 0.72
▸ CCNA2 P20248 2/20 0.72
▸ CCNA1 P78396 2/20 0.72
▸ CDK5R1 Q15078 2/20 0.72
▸ CCNE1 P24864 3/20 0.53
▸ CCNE2 O96020 2/20 0.53
▸ MAPK8 P45983 2/20 0.46

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
SCHEMBL31060209 1.00 CDK9 (0.72) CDK9CCNT1CDK2GSK3AMAP4K4
SCHEMBL12487288 0.90 CDK9 (0.67) CDK9CCNT1CDK2GSK3AMAP4K4
SCHEMBL12485959 0.90 CDK9 (0.59) CDK9CCNT1CDK2GSK3AMAP4K4
SCHEMBL12487274 0.84 CDK9 (0.70) CDK9CCNT1CDK2GSK3AMAP4K4
SCHEMBL4430368 0.84 CDK9 (1.00) CDK9CCNT1CDK2GSK3AMAP4K4
SCHEMBL29486339 0.84 CDK9 (1.00) CDK9CCNT1CDK2GSK3AMAP4K4
SCHEMBL3005997 0.82 CDK9 (0.70) CDK9CCNT1CDK2GSK3AMAP4K4
SCHEMBL17257720 0.81 CDK9 (0.70) CDK9CCNT1CDK2GSK3AMAP4K4
SCHEMBL12486011 0.81 CDK9 (0.66) CDK9CCNT1CDK2GSK3AMAP4K4
SCHEMBL16108038 0.81 CDK9 (0.52) CDK9CCNT1CDK2GSK3AMAP4K4

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-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-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
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
US-9242937-B2 Pharmaceutically active disubstituted pyridine derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-26 — — US disclosed
US-20140287454-A1 SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-09-25 — — US disclosed
US-20140287454-A1 SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-09-25 — — 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

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 3091/4885CDK2 542/4885
US-20150329537-A2 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA CDK9, CDK19, CDKN1A CDK9 1/4885CCNT1 41/4885CDK2 27/4885
US-20140303167-A1 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA CDK9, CDK19, CDKN1A CDK9 1/4885CCNT1 41/4885CDK2 27/4885

“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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