SCHEMBL5496650

SCHEMBL5496650

Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1-c1ccc2ncnc(N)c2c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.60
RIPK1 Q13546 1/20 0.51
RIPK3 Q9Y572 1/20 0.51
FGFR1 P11362 1/20 0.51
DDR2 Q16832 1/20 0.51
RAF1 P04049 3/20 0.50
BRAF P15056 3/20 0.50
MAPK1 P28482 2/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
HIF1A Q16665 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
MAP4K4 O95819 2/20 0.49

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
SCHEMBL1140725 0.84 MAPK14 (0.59) MAPK14RAF1BRAFMAPK1NPC1
SCHEMBL5497085 0.83 MAP4K4 (0.56) MAPK14RIPK1RIPK3MAP4K4
SCHEMBL2914953 0.82 MAPK14 (0.62) MAPK14RAF1BRAFMAPK1NPC1
SCHEMBL2352480 0.82 PKM (0.70) MAPK14RAF1BRAFMAPK1NPC1
SCHEMBL5503703 0.82 MAP4K4 (0.54) MAPK14MAP4K4
SCHEMBL5498351 0.82 LCK (0.58) MAPK14RAF1BRAFALDH1A1CYP2C19
SCHEMBL2353815 0.81 PKM (0.63) MAPK14RAF1BRAFMAPK1NPC1
SCHEMBL12394214 0.80 NPC1 (0.74) MAPK14RAF1BRAFMAPK1NPC1
SCHEMBL5501086 0.80 MAP4K4 (0.52) MAPK14MAP4K4
SCHEMBL2346560 0.79 RARA (0.66) MAPK14RAF1BRAFMAPK1NPC1

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 10 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
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
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 MAPK14 301/4885RIPK1 653/4885RIPK3 494/4885

“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.