SCHEMBL4412294

SCHEMBL4412294

CC(=O)Nc1cccc(Nc2ncnc3c2ccn3C(=O)O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 3/20 0.69
PIK3CG P48736 2/20 0.69
ABCG2 Q9UNQ0 3/20 0.62
EGFR P00533 6/20 0.54
MAPT P10636 6/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
POLB P06746 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAF1 P04049 1/20 0.49
BRAF P15056 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ALDH1A1 P00352 2/20 0.48

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 0.86 LMNA (0.58) PIP4K2APIK3CGEGFRMAPTMEN1
SCHEMBL4412416 0.84 ALDH1A1 (0.54) PIP4K2APIK3CGABCG2EGFRMAPT
SCHEMBL4416184 0.84 LRRK2 (0.54) PIP4K2APIK3CGABCG2MAPTMEN1
SCHEMBL4421383 0.83 RAB9A (0.57) PIP4K2APIK3CGABCG2EGFRMAPT
SCHEMBL4427009 0.83 AURKA (0.58) ABCG2EGFRKDM4E
SCHEMBL4414264 0.83 MAPT (0.57) EGFRMAPTMEN1KMT2AKDM4E
SCHEMBL4415661 0.83 EGFR (0.52) PIP4K2APIK3CGABCG2EGFRMAPT
SCHEMBL4416404 0.83 ABCG2 (0.57) PIP4K2APIK3CGABCG2EGFRMAPT
SCHEMBL4414170 0.82 ALDH1A1 (0.54) PIP4K2APIK3CGMAPTMEN1KMT2A
SCHEMBL4414043 0.82 PIP4K2A (0.48) PIP4K2APIK3CGABCG2EGFRMAPT

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 762/4885ABCG2 1387/4885

“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.