SCHEMBL5497910

SCHEMBL5497910

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.48
BRAF P15056 2/20 0.48
KRAS P01116 1/20 0.48
RAF1 P04049 1/20 0.48
MAPK14 Q16539 11/20 0.46
LCK P06239 10/20 0.46
JAK3 P52333 8/20 0.46
TEK Q02763 1/20 0.46
ABL1 P00519 4/20 0.40
GRIK1 P39086 1/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
CSNK2A1 P68400 2/20 0.40
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39

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 0.86 MAPK14 (0.58) KDRBRAFKRASRAF1MAPK14
SCHEMBL5490465 0.83 LCK (0.62) KDRBRAFMAPK14LCKJAK3
SCHEMBL5499158 0.81 KDR (0.56) KDRBRAFKRASRAF1MAPK14
SCHEMBL5498136 0.81 LCK (0.64) KDRBRAFMAPK14LCKJAK3
SCHEMBL29877852 0.80 KDR (0.45) KDRBRAFKRASRAF1MAPK14
SCHEMBL5498444 0.80 KDR (0.56) KDRBRAFKRASRAF1MAPK14
SCHEMBL5503952 0.80 KDR (0.53) KDRBRAFKRASRAF1MAPK14
SCHEMBL5488786 0.79 LCK (0.65) KDRBRAFKRASRAF1MAPK14
SCHEMBL5502277 0.79 KDM4E (0.54) KDRBRAFKRASRAF1MAPK14
SCHEMBL22625544 0.79 KDR (0.44) KDRBRAFKRASRAF1MAPK14

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 5 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
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 KDR 1044/4885BRAF 100/4885KRAS 805/4885

“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.