SCHEMBL4416404

SCHEMBL4416404

CSc1cccc(Nc2ncnc3c2ccn3C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.57
MAPK13 O15264 1/20 0.52
EGFR P00533 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
MAPK14 Q16539 1/20 0.52
PIP4K2A P48426 2/20 0.49
PIK3CG P48736 2/20 0.49
POLB P06746 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 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
SCHEMBL4415185 0.85 LMNA (0.58) EGFRPIP4K2APIK3CGPOLBALDH1A1
SCHEMBL4412294 0.83 PIP4K2A (0.69) ABCG2EGFRMAPK14PIP4K2APIK3CG
SCHEMBL4414264 0.82 MAPT (0.57) EGFRALDH1A1MAPTNPC1MEN1
SCHEMBL4421383 0.82 RAB9A (0.57) ABCG2EGFRPIP4K2APIK3CGPOLB
SCHEMBL4427009 0.82 AURKA (0.58) ABCG2EGFRKDM4E
SCHEMBL4415661 0.82 EGFR (0.52) ABCG2EGFRMAPK14PIP4K2APIK3CG
SCHEMBL4414170 0.81 ALDH1A1 (0.54) MAPK14PIP4K2APIK3CGPOLBALDH1A1
SCHEMBL4414043 0.81 PIP4K2A (0.48) ABCG2EGFRPIP4K2APIK3CGPOLB
SCHEMBL4412416 0.81 ALDH1A1 (0.54) ABCG2EGFRMAPK14PIP4K2APIK3CG
SCHEMBL4412925 0.81 PIP4K2A (0.48) ABCG2EGFRPIP4K2APIK3CGPOLB

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 ABCG2 1387/4885MAPK13 142/4885EGFR 251/4885

“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.