SCHEMBL2621772

SCHEMBL2621772

COCCN1CCC(Nc2cnc3ccc(Br)cc3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 4/20 0.48
▸ BRD4 O60885 2/20 0.45
▸ ATAD2 Q6PL18 2/20 0.45
▸ PDGFRA P16234 2/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ CDK1 P06493 2/20 0.42
▸ CDK4 P11802 2/20 0.42
▸ CCNA2 P20248 2/20 0.42
▸ CCNE1 P24864 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ CCND3 P30281 2/20 0.42
▸ CDK6 Q00534 2/20 0.42
▸ PABPC1 P11940 1/20 0.42
▸ EHMT2 Q96KQ7 1/20 0.42
▸ INSR P06213 1/20 0.40
▸ ALK Q9UM73 1/20 0.40
▸ MET P08581 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ MALT1 Q9UDY8 1/20 0.39

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
SCHEMBL2621771 0.85 KDM4E (0.46) PDPK1PDGFRAPDGFRBPABPC1EHMT2
SCHEMBL2621769 0.84 MET (0.51) PDPK1PDGFRAPDGFRBEHMT2MET
SCHEMBL2621756 0.83 PDPK1 (0.47) PDPK1BRD4ATAD2PDGFRAPDGFRB
SCHEMBL19947430 0.78 RIPK2 (0.46) BRD4ATAD2PDGFRACDK1CDK4
SCHEMBL15833964 0.71 BRD4 (0.55) BRD4ATAD2PDGFRACDK1CDK4
SCHEMBL14784664 0.70 MET (0.51) PDPK1PDGFRAPDGFRBMETPDE3B
SCHEMBL18672983 0.69 BRD4 (0.53) BRD4ATAD2PDGFRACDK1CDK4
SCHEMBL20252760 0.69 CDK1 (0.52) BRD4ATAD2PDGFRACDK1CDK4
SCHEMBL2621731 0.68 PDPK1 (0.45) PDPK1PDGFRAPDGFRBINSRSYK
SCHEMBL2621744 0.68 PDGFRB (0.43) PDPK1PDGFRAPDGFRBEHMT2INSR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560967-B1 Heterocyclic carboxylic acid amides as PDK1 inihibitors BOEHRINGER INGELHEIM INT (DE) 2017-12-20 — — EP disclosed
US-8575203-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 — — US disclosed
US-8575203-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 — — US disclosed
US-20120094976-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 — — US disclosed
US-20120094976-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 — — US disclosed
WO-2011131741-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDES AS PDK1 INIHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 — — 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 (1 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-20120094976-A1 NEW CHEMICAL COMPOUNDS CCNB1, MKI67, CCNA1 PDPK1 1873/4885BRD4 777/4885ATAD2 3479/4885

“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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