SCHEMBL4425627

SCHEMBL4425627

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.43
PIP4K2A P48426 1/20 0.43
PIK3CG P48736 1/20 0.43
CSNK2A2 P19784 3/20 0.42
CSNK2B P67870 3/20 0.42
CSNK2A1 P68400 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GAA P10253 1/20 0.41
EGFR P00533 4/20 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
SCHEMBL4425622 0.80 ALDH1A1 (0.48) ALDH1A1POLBMAPTSMN1; SMN2LMNA
SCHEMBL4414170 0.80 ALDH1A1 (0.54) ALDH1A1POLBMAPTSMN1; SMN2LMNA
SCHEMBL4412416 0.80 ALDH1A1 (0.54) ALDH1A1POLBMAPTSMN1; SMN2LMNA
SCHEMBL4423001 0.80 ALDH1A1 (0.54) ALDH1A1POLBMAPTSMN1; SMN2LMNA
SCHEMBL4415185 0.77 LMNA (0.58) ALDH1A1POLBMAPTSMN1; SMN2LMNA
SCHEMBL4415661 0.77 EGFR (0.52) ALDH1A1POLBMAPTSMN1; SMN2LMNA
SCHEMBL4412294 0.75 PIP4K2A (0.69) ALDH1A1POLBMAPTSMN1; SMN2LMNA
SCHEMBL4412666 0.75 PIP4K2A (0.48) ALDH1A1POLBMAPTSMN1; SMN2NPC1
SCHEMBL4421383 0.75 RAB9A (0.57) ALDH1A1POLBMAPTLMNANPC1
SCHEMBL4414264 0.75 MAPT (0.57) ALDH1A1MAPTLMNANPC1MEN1

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 4460/4885MAPT 1133/4885

“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.