SCHEMBL5494768

SCHEMBL5494768

Cc1ccc(C(N)=O)cc1-c1ccc2nc(Nc3ccc(OCCCN4CCCCC4)cc3)ncc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.57
CHEK2 O96017 2/20 0.54
BRD4 O60885 3/20 0.51
JAK1 P23458 3/20 0.51
HDAC1 Q13547 3/20 0.51
JAK2 O60674 1/20 0.51
RET P07949 1/20 0.51
TYK2 P29597 1/20 0.51
FLT3 P36888 1/20 0.51
JAK3 P52333 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
LCK P06239 5/20 0.50
KDR P35968 5/20 0.50
MAPK14 Q16539 5/20 0.50
SRC P12931 4/20 0.49
RIPK1 Q13546 1/20 0.48
RIPK3 Q9Y572 1/20 0.48
KIT P10721 1/20 0.48
MAPK9 P45984 1/20 0.48

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
SCHEMBL5494868 0.84 LCK (0.66) BRAFBRD4JAK1HDAC1JAK2
SCHEMBL5490254 0.83 LCK (0.76) BRAFBRD4JAK1HDAC1JAK2
SCHEMBL5491954 0.83 KDR (0.55) CHEK2TYK2JAK3LCKKDR
SCHEMBL5501154 0.83 SRC (0.69) BRAFRETLCKKDRMAPK14
SCHEMBL5496120 0.83 LCK (0.67) BRAFBRD4JAK1HDAC1JAK2
SCHEMBL230249 0.78 SRC (0.77) BRAFRETLCKKDRSRC
SCHEMBL5497210 0.77 MAPK14 (0.72) TYK2JAK3LCKKDRMAPK14
SCHEMBL5494307 0.77 LCK (0.61) BRAFTYK2JAK3LCKKDR
SCHEMBL5491773 0.77 KDR (0.59) BRAFTYK2JAK3LCKKDR
SCHEMBL5490360 0.76 BRAF (0.64) BRAFBRD4JAK1HDAC1JAK2

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 8 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 claimed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP claimed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP claimed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US claimed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO claimed
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

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 BRAF 100/4885CHEK2 167/4885BRD4 395/4885

“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.