SCHEMBL1853820

SCHEMBL1853820

Cc1c(C(=O)NC/C=C/c2ccc3nc(N)ncc3c2)c(=O)n(Cc2ccc(F)c(F)c2)n1C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 19/20 0.48
LCK P06239 1/20 0.34
KIT P10721 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 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
SCHEMBL1853823 1.00 PDPK1 (0.48) PDPK1LCKKITSRCKDR
SCHEMBL1848435 0.90 PDPK1 (0.51) PDPK1
SCHEMBL1848439 0.90 PDPK1 (0.51) PDPK1
SCHEMBL1847524 0.88 PDPK1 (0.52) PDPK1
SCHEMBL1847527 0.88 PDPK1 (0.52) PDPK1
SCHEMBL1849414 0.88 PDPK1 (0.49) PDPK1
SCHEMBL1849416 0.88 PDPK1 (0.49) PDPK1
SCHEMBL1851527 0.87 PDPK1 (0.45) PDPK1
SCHEMBL1851524 0.87 PDPK1 (0.45) PDPK1
SCHEMBL13533977 0.85 PDPK1 (0.44) 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 7 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
JP-2011528025-A 2011-11-10 JP claimed
EP-2323986-A2 HETOEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP claimed
WO-2010007114-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 WO 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
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 4/4885LCK 2283/4885KIT 396/4885

“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.