SCHEMBL5494583

SCHEMBL5494583

O=C1CCCN1CCCNc1ncc2cc(Br)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.51
MKNK2 Q9HBH9 2/20 0.51
CASK O14936 1/20 0.50
KMT2A Q03164 4/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PGK1 P00558 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TYRO3 Q06418 7/20 0.43
MALT1 Q9UDY8 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
STK4 Q13043 1/20 0.42
STK3 Q13188 1/20 0.42
SIK2 Q9H0K1 1/20 0.42
STK26 Q9P289 1/20 0.42
STK24 Q9Y6E0 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
SCHEMBL5490324 0.94 CASK (0.46) MKNK1MKNK2CASKKMT2APOLB
SCHEMBL5497014 0.77 BRAF (0.48)
SCHEMBL5491242 0.77 EGFR (0.58) KMT2APOLBKDM4EALDH1A1TYRO3
SCHEMBL5495537 0.76 BRAF (0.49)
SCHEMBL14908910 0.75 SCN9A (0.43) CASKKMT2APOLBTDP1MEN1
SCHEMBL5492795 0.74 KMT2A (0.56) KMT2APOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL14724691 0.74 KMT2A (0.44) KMT2AHTTTYRO3
SCHEMBL3865935 0.73 KMT2A (0.45) CASKKMT2APOLBTDP1MEN1
SCHEMBL5488941 0.72 EGFR (0.56) MKNK1KMT2APOLBMEN1
SCHEMBL5495588 0.72 FLT3 (0.47) KMT2A

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 disclosed
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
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
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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 MKNK1 318/4885MKNK2 286/4885CASK 1109/4885

“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.