SCHEMBL1851735

SCHEMBL1851735

O=C(NC/C=C/c1ccc2nc(Nc3ccccc3)ncc2c1)c1ccnn(Cc2ccc(F)c(F)c2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 12/20 0.42
▸ TP53 P04637 1/20 0.39
▸ BRAF P15056 4/20 0.37
▸ CNR2 P34972 1/20 0.35
▸ PTGER4 P35408 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL1851738 1.00 PDPK1 (0.42) PDPK1TP53BRAFCNR2PTGER4
SCHEMBL1845366 0.92 PDPK1 (0.47) PDPK1BRAF
SCHEMBL1845368 0.92 PDPK1 (0.47) PDPK1BRAF
SCHEMBL13534390 0.86 PDPK1 (0.51) PDPK1
SCHEMBL16497374 0.86 PDPK1 (0.51) PDPK1
SCHEMBL1848894 0.85 TP53 (0.38) PDPK1TP53BRAF
SCHEMBL1848898 0.85 TP53 (0.38) PDPK1TP53BRAF
SCHEMBL16497039 0.85 PDPK1 (0.42) PDPK1
SCHEMBL1848854 0.85 PDPK1 (0.42) PDPK1
SCHEMBL1851524 0.83 PDPK1 (0.45) PDPK1TP53BRAFMEN1USP2

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
US-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 — — US claimed
US-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 — — US disclosed
US-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 — — US disclosed
EP-2323986-A2 HETOEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS Boehringer Ingelheim International GmbH (DE) 2011-05-25 — — EP disclosed
WO-2010007114-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 — — WO disclosed
WO-2010007114-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 — — 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-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS PDK2, PDK4, CCNH PDPK1 4/4885TP53 157/4885BRAF 861/4885

“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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