SCHEMBL5494594

SCHEMBL5494594

COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(-c2ccc3ncnc(N)c3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 1/20 0.54
BRAF P15056 10/20 0.49
MAP4K4 O95819 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KDR P35968 2/20 0.43
LCK P06239 1/20 0.42
SRC P12931 1/20 0.42
TYK2 P29597 1/20 0.42
SYK P43405 1/20 0.42
JAK3 P52333 1/20 0.42
BTK Q06187 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL5498149 0.92 KDR (0.51) KMT2ABRAFHTTKDRLCK
SCHEMBL5489153 0.89 ALDH1A1 (0.50) MEN1KMT2AMAP4K4TSHRHTT
SCHEMBL5503703 0.85 MAP4K4 (0.54) MEN1KMT2AMAP4K4KDRLCK
SCHEMBL5492974 0.83 LCK (0.61) MEN1POLBKMT2ABRAFCYP1A2
SCHEMBL5502250 0.83 MAPK14 (0.52) BRAFMAP4K4KDRLCKJAK3
SCHEMBL5489490 0.83 TEK (0.54) POLBBRAFMAP4K4KDRLCK
SCHEMBL5498400 0.82 MAPK14 (0.59) BRAFMAP4K4KDRLCKSRC
SCHEMBL13219954 0.82 MEN1 (0.56) MEN1POLBKMT2ABRAFCYP1A2
SCHEMBL5497160 0.81 KDR (0.51) BRAFMAP4K4KDRLCKSRC
SCHEMBL5496816 0.80 KDR (0.49) BRAFMAP4K4KDRLCKSRC

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 MEN1 2987/4885POLB 1994/4885KMT2A 1204/4885

“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.