SCHEMBL2631958

SCHEMBL2631958

CN(C)CCCOc1ccnc2ccc(CNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 20/20 0.81

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
SCHEMBL2631931 0.98 PDPK1 (0.81) PDPK1
SCHEMBL2631935 0.96 PDPK1 (0.81) PDPK1
SCHEMBL2631941 0.93 PDPK1 (0.81) PDPK1
SCHEMBL2118574 0.90 PDPK1 (1.00) PDPK1
SCHEMBL2632076 0.89 PDPK1 (0.79) PDPK1
SCHEMBL2632062 0.89 PDPK1 (0.80) PDPK1
SCHEMBL2631987 0.89 PDPK1 (0.81) PDPK1
SCHEMBL2631915 0.89 PDPK1 (0.81) PDPK1
SCHEMBL10194268 0.88 PDPK1 (0.81) PDPK1
SCHEMBL10193070 0.88 PDPK1 (0.81) PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1873/4885

“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.