SCHEMBL4414043

SCHEMBL4414043

CC(O)c1cccc(Nc2ncnc3c2ccn3C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 2/20 0.48
PIK3CG P48736 2/20 0.48
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
SRC P12931 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RET P07949 1/20 0.43
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
EGFR P00533 3/20 0.41

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
SCHEMBL4412929 0.84 PIP4K2A (0.46) PIP4K2APIK3CGALDH1A1POLBSRC
SCHEMBL4415185 0.84 LMNA (0.58) PIP4K2APIK3CGALDH1A1POLBMEN1
SCHEMBL4416184 0.82 LRRK2 (0.54) PIP4K2APIK3CGALDH1A1POLBMEN1
SCHEMBL4412294 0.82 PIP4K2A (0.69) PIP4K2APIK3CGALDH1A1POLBMEN1
SCHEMBL4427009 0.81 AURKA (0.58) KDM4EABCG2EGFR
SCHEMBL4414264 0.81 MAPT (0.57) ALDH1A1SRCMEN1KMT2AMAPT
SCHEMBL4421383 0.81 RAB9A (0.57) PIP4K2APIK3CGALDH1A1POLBSRC
SCHEMBL4415661 0.81 EGFR (0.52) PIP4K2APIK3CGALDH1A1POLBMEN1
SCHEMBL4416404 0.81 ABCG2 (0.57) PIP4K2APIK3CGALDH1A1POLBMEN1
SCHEMBL4414170 0.80 ALDH1A1 (0.54) PIP4K2APIK3CGALDH1A1POLBMEN1

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.