SCHEMBL4412666

SCHEMBL4412666

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 1/20 0.48
PIK3CG P48736 1/20 0.48
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
PRMT5 O14744 1/20 0.45
MAPT P10636 2/20 0.44
EGFR P00533 4/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TOP2A P11388 1/20 0.43
TOP2B Q02880 1/20 0.43
BTK Q06187 1/20 0.43
SRC P12931 1/20 0.43
ADK P55263 1/20 0.43
SYK P43405 1/20 0.43
AURKA O14965 2/20 0.42
RPS6KB1 P23443 2/20 0.42
AURKB Q96GD4 2/20 0.42
KDM4E B2RXH2 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
SCHEMBL4418471 0.91 PIP4K2A (0.46) PIP4K2APIK3CGALDH1A1POLBPRMT5
SCHEMBL4412929 0.86 PIP4K2A (0.46) PIP4K2APIK3CGALDH1A1POLBPRMT5
SCHEMBL4427009 0.83 AURKA (0.58) EGFRAURKARPS6KB1AURKBKDM4E
SCHEMBL4415185 0.83 LMNA (0.58) PIP4K2APIK3CGALDH1A1POLBMAPT
SCHEMBL4414264 0.83 MAPT (0.57) ALDH1A1MAPTEGFRNPC1SRC
SCHEMBL4421383 0.83 RAB9A (0.57) PIP4K2APIK3CGALDH1A1POLBMAPT
SCHEMBL4423001 0.81 ALDH1A1 (0.54) PIP4K2APIK3CGALDH1A1POLBMAPT
SCHEMBL4412294 0.81 PIP4K2A (0.69) PIP4K2APIK3CGALDH1A1POLBMAPT
SCHEMBL4416495 0.81 EGFR (0.57) PIP4K2APIK3CGALDH1A1MAPTEGFR
SCHEMBL4416404 0.81 ABCG2 (0.57) PIP4K2APIK3CGALDH1A1POLBMAPT

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 14 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
CN-100439365-C Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-12-03 CN 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
CN-1842529-A Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2006-10-04 CN 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
CN-100439365-C Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-12-03 CN 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
CN-1842529-A Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2006-10-04 CN 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 PIP4K2A 1032/4885PIK3CG 762/4885ALDH1A1 4726/4885

“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.