SCHEMBL5502277

SCHEMBL5502277

CNc1ncc2cc(-c3cc(C(=O)NCc4ccccn4)ccc3C)cnc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
PRNP P04156 1/20 0.48
NAMPT P43490 1/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
KMT2A Q03164 4/20 0.45
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
MEN1 O00255 3/20 0.45
KDR P35968 3/20 0.44
BRAF P15056 2/20 0.44

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
SCHEMBL5498060 0.81 MAPK14 (0.58) KDRBRAFKRASRAF1LCK
SCHEMBL5497910 0.79 KDR (0.48) KDRBRAFKRASRAF1LCK
SCHEMBL5496648 0.77 LCK (0.57) KDM4ENAMPTRAB9ANPC1LMNA
SCHEMBL5499158 0.75 KDR (0.56) KDRBRAFKRASRAF1LCK
SCHEMBL13947279 0.74 KDM4E (0.79) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5504527 0.74 KDR (0.52) ADORA2AADORA1KDRBRAFKRAS
SCHEMBL5498136 0.74 LCK (0.64) KDRBRAFLCKJAK3MAPK14
SCHEMBL5494275 0.74 LCK (0.66) KDRBRAFRAF1LCKJAK3
SCHEMBL14715520 0.74 KDR (0.51) KDRBRAFKRASRAF1LCK
SCHEMBL23745196 0.74 ABL1 (0.57) KDRBRAFKRASRAF1LCK

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 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
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 KDM4E 1444/4885CYP1A2 312/4885CYP3A4 622/4885

“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.