SCHEMBL5501508

SCHEMBL5501508

CNC(=O)c1ccc(C)c(-c2ccc3nc(NCCN4CCOCC4)ncc3c2)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.83
KDR P35968 16/20 0.83
LCK P06239 15/20 0.83
MAPK9 P45984 2/20 0.83
MAPK10 P53779 2/20 0.83
KIT P10721 2/20 0.83
RIPK1 Q13546 1/20 0.81
RIPK3 Q9Y572 1/20 0.81
JAK3 P52333 10/20 0.72
SRC P12931 1/20 0.72
TYK2 P29597 1/20 0.72
SYK P43405 1/20 0.72
MAPK8 P45983 1/20 0.72
BTK Q06187 1/20 0.72
POLB P06746 1/20 0.47
BRAF P15056 1/20 0.47
TEK Q02763 1/20 0.47
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL5505067 0.91 MAPK14 (1.00) MAPK14KDRLCKMAPK9MAPK10
SCHEMBL5495638 0.90 MAPK14 (0.78) MAPK14KDRLCKMAPK9MAPK10
SCHEMBL5489617 0.90 MAPK14 (0.94) MAPK14KDRLCKMAPK9MAPK10
SCHEMBL5498815 0.90 MAPK14 (0.94) MAPK14KDRLCKMAPK9MAPK10
SCHEMBL5502145 0.89 MAPK14 (0.76) MAPK14KDRLCKMAPK9MAPK10
SCHEMBL5492767 0.87 RIPK1 (0.76) MAPK14KDRLCKMAPK9MAPK10
SCHEMBL5496169 0.86 MAPK14 (0.91) MAPK14KDRLCKMAPK9MAPK10
SCHEMBL5497210 0.86 MAPK14 (0.72) MAPK14KDRLCKMAPK9MAPK10
SCHEMBL5502369 0.85 LCK (0.62) MAPK14KDRLCKMAPK9MAPK10
SCHEMBL5494376 0.84 LCK (0.75) MAPK14KDRLCKMAPK9MAPK10

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 claimed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP claimed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US claimed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
US-20150079154-A1 MEDICAMENT FOR TREATMENT OF LIVER CANCER HELMHOLTZ-ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2015-03-19 US 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 (2 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 301/4885KDR 1044/4885LCK 106/4885
US-20150079154-A1 MEDICAMENT FOR TREATMENT OF LIVER CANCER PYGL, PFKL, GLS2 MAPK14 523/4885KDR 569/4885LCK 278/4885

“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.