SCHEMBL2621756

SCHEMBL2621756

COCCN1CCC(Nc2cnc3ccc(Br)cc3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 7/20 0.47
▸ BRD4 O60885 2/20 0.47
▸ ATAD2 Q6PL18 2/20 0.47
▸ PDGFRB P09619 6/20 0.45
▸ PDGFRA P16234 6/20 0.45
▸ EGFR P00533 1/20 0.42
▸ INSR P06213 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ 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
▸ EHMT2 Q96KQ7 1/20 0.42
▸ KDM1A O60341 1/20 0.39
▸ CXCR3 P49682 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
SCHEMBL2621731 0.86 PDPK1 (0.45) PDPK1PDGFRBPDGFRAEGFRINSR
SCHEMBL2621744 0.85 PDGFRB (0.43) PDPK1PDGFRBPDGFRAEGFRINSR
SCHEMBL2621741 0.84 PDGFRB (0.46) PDPK1BRD4ATAD2PDGFRBPDGFRA
SCHEMBL30399892 0.84 PDGFRB (0.46) PDPK1BRD4ATAD2PDGFRBPDGFRA
SCHEMBL2621772 0.83 PDPK1 (0.48) PDPK1BRD4ATAD2PDGFRBPDGFRA
SCHEMBL2621739 0.80 PDPK1 (0.42) PDPK1PDGFRBPDGFRAEGFRINSR
SCHEMBL2621745 0.78 IRAK4 (0.47) PDPK1BRD4ATAD2PDGFRBPDGFRA
SCHEMBL2621738 0.77 PDGFRB (0.42) PDPK1PDGFRBPDGFRAEGFRINSR
SCHEMBL2621748 0.76 PDGFRB (0.59) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL2621743 0.76 PDGFRB (0.45) PDPK1PDGFRBPDGFRAEGFREHMT2

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.

Send feedback