SCHEMBL5491016

SCHEMBL5491016

Nc1ccc(Cl)c(-c2ccc3nc(N)ncc3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.56
KDR P35968 1/20 0.56
JAK3 P52333 1/20 0.56
MAPK14 Q16539 1/20 0.56
DHFR P00374 4/20 0.50
ADORA1 P30542 2/20 0.45
BACE1 P56817 1/20 0.44
KIT P10721 4/20 0.44
SRC P12931 4/20 0.44
BRAF P15056 1/20 0.41
EPHB4 P54760 1/20 0.40
TEK Q02763 1/20 0.40
ADORA2A P29274 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.38
KMO O15229 1/20 0.38
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL5494572 1.00 LCK (0.56) LCKKDRJAK3MAPK14DHFR
SCHEMBL41115 0.86 LCK (0.53) LCKKDRJAK3MAPK14DHFR
SCHEMBL28298101 0.84 LCK (0.69) LCKKDRJAK3MAPK14DHFR
SCHEMBL24457803 0.82 LCK (0.47) LCKKDRJAK3MAPK14BACE1
SCHEMBL41400 0.82 LCK (0.53) LCKKDRJAK3MAPK14DHFR
SCHEMBL5494034 0.82 LCK (0.56) LCKKDRJAK3MAPK14DHFR
SCHEMBL5489139 0.82 LCK (0.72) LCKKDRJAK3MAPK14DHFR
SCHEMBL5492624 0.82 LCK (0.59) LCKKDRJAK3MAPK14DHFR
SCHEMBL5492816 0.79 LCK (0.72) LCKKDRJAK3MAPK14DHFR
SCHEMBL5494272 0.79 LCK (0.58) LCKKDRJAK3MAPK14DHFR

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 9 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-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-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.