SCHEMBL5497005

SCHEMBL5497005

CNc1ncc2cc(-c3cccc(C(=O)O)c3)ccc2n1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 8/20 0.62
KDR P35968 5/20 0.50
JAK3 P52333 5/20 0.50
MAPK14 Q16539 5/20 0.50
BRAF P15056 4/20 0.48
TEK Q02763 1/20 0.48
KMO O15229 2/20 0.46
LDHA P00338 1/20 0.45
MAP3K5 Q99683 1/20 0.44
CSNK2A1 P68400 1/20 0.44

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
SCHEMBL1517065 0.86 LCK (0.49) LCKBRAFLDHACSNK2A1
SCHEMBL12365560 0.83 TRIM58 (0.59) LCKKDRJAK3MAPK14BRAF
SCHEMBL5490465 0.81 LCK (0.62) LCKKDRJAK3MAPK14BRAF
SCHEMBL5496333 0.80 LCK (0.59) LCKKDRJAK3MAPK14TEK
SCHEMBL5496108 0.79 LCK (0.84) LCKKDRJAK3MAPK14BRAF
SCHEMBL5490502 0.78 LCK (1.00) LCKKDRJAK3MAPK14BRAF
SCHEMBL23998174 0.77 DGAT1 (0.44) LCKBRAFKMOLDHA
SCHEMBL21909893 0.77 DGAT1 (0.44) LCKBRAFKMOLDHA
SCHEMBL19019016 0.77 DGAT1 (0.44) LCKBRAFKMOLDHA
SCHEMBL5498388 0.74 NPC1 (0.61) LCKKDRJAK3MAPK14BRAF

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
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 LCK 106/4885KDR 1044/4885JAK3 60/4885

“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.