SCHEMBL11898024

SCHEMBL11898024

CCCS(=O)(=O)Nc1cc(Nc2cc(-c3cccc(N)c3)ncn2)ccc1C

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 17/20 0.77
CDK9 P50750 17/20 0.77
BACE1 P56817 3/20 0.59

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
SCHEMBL4101898 0.87 CCNT1 (1.00) CCNT1CDK9BACE1
SCHEMBL14050409 0.85 CCNT1 (0.57) CCNT1CDK9BACE1
SCHEMBL4097348 0.83 CCNT1 (0.78) CCNT1CDK9BACE1
SCHEMBL11898137 0.78 CCNT1 (0.69) CCNT1CDK9BACE1
SCHEMBL4102047 0.78 CCNT1 (0.69) CCNT1CDK9
SCHEMBL4108631 0.77 BACE1 (0.81) CCNT1CDK9BACE1
SCHEMBL4109231 0.76 CCNT1 (0.77) CCNT1CDK9BACE1
SCHEMBL4109321 0.75 BACE1 (1.00) CCNT1CDK9BACE1
SCHEMBL4103718 0.75 BACE1 (0.78) CCNT1CDK9BACE1
SCHEMBL4113685 0.74 BACE1 (0.74) CCNT1CDK9BACE1

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 15 patents. 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
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-1678147-B1 PHARMACEUTICALLY ACTIVE 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASES LEAD DISCOVERY CENTER GMBH (DE) 2012-08-08 EP claimed
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-20140303167-A1 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA LEAD DISCOVERY CENTER GMBH (DE) 2014-10-09 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-2747755-A1 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA Lead Discovery Center GmbH (DE) 2014-07-02 EP disclosed
WO-2013026874-A1 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA LEAD DISCOVERY CENTER GMBH (DE) 2013-02-28 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20150329537-A2 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA CDK9, CDK19, CDKN1A CCNT1 41/4885CDK9 1/4885BACE1 2565/4885
US-20140303167-A1 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA CDK9, CDK19, CDKN1A CCNT1 41/4885CDK9 1/4885BACE1 2565/4885

“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.