SCHEMBL4412416

SCHEMBL4412416

C=C(C)c1cccc(Nc2ncnc3c2ccn3C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
POLB P06746 2/20 0.54
PIP4K2A P48426 2/20 0.51
PIK3CG P48736 2/20 0.51
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 2/20 0.44
CSNK2A2 P19784 2/20 0.44
CSNK2B P67870 2/20 0.44
CSNK2A1 P68400 2/20 0.44
MAPK1 P28482 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
EGFR P00533 4/20 0.43

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
SCHEMBL4414170 0.87 ALDH1A1 (0.54) ALDH1A1POLBPIP4K2APIK3CGMAPT
SCHEMBL4423001 0.86 ALDH1A1 (0.54) ALDH1A1POLBPIP4K2APIK3CGMAPT
SCHEMBL4412294 0.84 PIP4K2A (0.69) ALDH1A1POLBPIP4K2APIK3CGMAPT
SCHEMBL4415185 0.84 LMNA (0.58) ALDH1A1POLBPIP4K2APIK3CGMAPT
SCHEMBL4421383 0.81 RAB9A (0.57) ALDH1A1POLBPIP4K2APIK3CGMAPT
SCHEMBL4414264 0.81 MAPT (0.57) ALDH1A1MAPTNPC1LMNAMEN1
SCHEMBL4427009 0.81 AURKA (0.58) KDM4EABCG2EGFR
SCHEMBL4416404 0.81 ABCG2 (0.57) ALDH1A1POLBPIP4K2APIK3CGMAPT
SCHEMBL4415661 0.81 EGFR (0.52) ALDH1A1POLBPIP4K2APIK3CGMAPT
SCHEMBL4425622 0.81 ALDH1A1 (0.48) ALDH1A1POLBPIP4K2APIK3CGMAPT

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 ALDH1A1 4726/4885POLB 4460/4885PIP4K2A 1032/4885

“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.