SCHEMBL4421383

SCHEMBL4421383

O=C(O)n1ccc2c(Nc3cccc(F)c3)ncnc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.57
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.57
MAPT P10636 1/20 0.57
EGFR P00533 7/20 0.54
ABCG2 Q9UNQ0 1/20 0.54
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
MKNK1 Q9BUB5 1/20 0.51
ABL1 P00519 2/20 0.49
SRC P12931 2/20 0.49
PIP4K2A P48426 1/20 0.49
PIK3CG P48736 1/20 0.49
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
LCK P06239 1/20 0.47
FBP1 P09467 1/20 0.46
CDC7 O00311 1/20 0.46
DAPK3 O43293 1/20 0.46
PRKD3 O94806 1/20 0.46

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
SCHEMBL4415185 0.85 LMNA (0.58) RAB9AKDM4ENPC1MAPTEGFR
SCHEMBL4414264 0.85 MAPT (0.57) KDM4ENPC1MAPTEGFRHTT
SCHEMBL4427009 0.85 AURKA (0.58) KDM4EEGFRABCG2
SCHEMBL4416495 0.85 EGFR (0.57) MAPTEGFRABCG2HTTPIP4K2A
SCHEMBL4412294 0.83 PIP4K2A (0.69) RAB9AKDM4ENPC1MAPTEGFR
SCHEMBL4423001 0.83 ALDH1A1 (0.54) RAB9AKDM4ENPC1MAPTEGFR
SCHEMBL4412666 0.83 PIP4K2A (0.48) RAB9AKDM4ENPC1MAPTEGFR
SCHEMBL4415573 0.82 PIP4K2A (0.47) RAB9AKDM4ENPC1MAPTEGFR
SCHEMBL4416404 0.82 ABCG2 (0.57) RAB9AKDM4ENPC1MAPTEGFR
SCHEMBL5033064 0.82 TP53 (0.59) RAB9ANPC1MAPTEGFRABCG2

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-1658290-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-15 EP claimed
US-7338957-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-03-04 US claimed
JP-2007504159-A 2007-03-01 JP claimed
EP-1658290-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-24 EP claimed
WO-2005039486-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-05-06 WO claimed
EP-1658290-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-15 EP disclosed
US-20080108616-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-05-08 US disclosed
US-7338957-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-03-04 US disclosed
EP-1658290-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-24 EP disclosed
WO-2005039486-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-05-06 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-20080108616-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS LCK, FYN, BMX RAB9A 1179/4885KDM4E 3165/4885NPC1 3286/4885

“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.