SCHEMBL5494492

SCHEMBL5494492

CC(C)(C)NCCNc1ncc2cc(Br)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MCHR1 Q99705 2/20 0.37
ADRA2A P08913 1/20 0.37
NPY5R Q15761 1/20 0.37
EGFR P00533 1/20 0.36
FDPS P14324 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CCNC P24863 1/20 0.35
HTT P42858 1/20 0.35
CDK8 P49336 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
RAB9A P51151 1/20 0.35
HCRTR1 O43613 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL5505032 0.81 EGFR (0.53) EGFRBRAF
SCHEMBL14724691 0.81 KMT2A (0.44) BRD4EGFRL3MBTL1CCNCHTT
SCHEMBL5495483 0.80 BRAF (0.43) ALDH1A1BRAF
SCHEMBL5495588 0.78 FLT3 (0.47) EGFRKMT2AATM
SCHEMBL5492795 0.78 KMT2A (0.56) KDM4EALDH1A1FDPSL3MBTL1KMT2A
SCHEMBL5496280 0.77 LMNA (0.44) KDM4EALDH1A1HTTKMT2AATM
SCHEMBL5498763 0.76 FGFR1 (0.53) EGFRKMT2AATM
SCHEMBL1585490 0.75 EGFR (0.44) EGFRBRAFROCK2BACE1
SCHEMBL5497014 0.74 BRAF (0.48) EGFRHCRTR1BRAF
SCHEMBL5496330 0.74 MAPT (0.42) KDM4EALDH1A1MCHR1ADRA2ANPY5R

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 7 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-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
EP-1763532-A1 1,1'-DIPHOSPHINOFERROCENES HAVING 2,2'-BOUND ACHIRALS OR CHIRAL RADICALS Solvias AG (CH) 2007-03-21 EP 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
WO-2006003196-A1 1,1'-DIPHOSPHINOFERROCENES HAVING 2,2'-BOUND ACHIRALS OR CHIRAL RADICALS SOLVIAS AG (CH) 2006-01-12 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 BRD4 395/4885KDM4E 1444/4885ALDH1A1 1563/4885

“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.