SCHEMBL4412690

SCHEMBL4412690

NC(=O)c1ccc(Nc2ncnc3c2ccn3C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.49
CDC7 O00311 1/20 0.47
ROCK2 O75116 1/20 0.47
MAP4K4 O95819 1/20 0.47
PIM1 P11309 1/20 0.47
PRKACA P17612 1/20 0.47
CDK2 P24941 1/20 0.47
GSK3B P49841 1/20 0.47
HIPK2 Q9H2X6 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
PRMT1 Q99873 1/20 0.47
ABL1 P00519 2/20 0.47
BCR P11274 2/20 0.47
F9 P00740 1/20 0.46
CD38 P28907 3/20 0.46
PIP4K2A P48426 1/20 0.46
PIK3CG P48736 1/20 0.46
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46

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
SCHEMBL4423001 0.85 ALDH1A1 (0.54) PIP4K2APIK3CGAURKARPS6KB1KDM4E
SCHEMBL4414025 0.81 FLT3 (0.51) ABL1BCRPIP4K2APIK3CGAURKA
SCHEMBL4414154 0.78 ABL1 (0.71) ABL1BCRTTBK1TTBK2
SCHEMBL4413342 0.76 MAP4K4 (0.47) MAP4K4CDK2CD38PIP4K2APIK3CG
SCHEMBL32679377 0.76 KDR (0.55) ABL1BCRPIP4K2APIK3CGAURKA
SCHEMBL4415185 0.75 LMNA (0.58) PIP4K2APIK3CGTP53KDM4EALDH1A1
SCHEMBL4427009 0.75 AURKA (0.58) AURKARPS6KB1KDM4EEGFRAURKB
SCHEMBL4421383 0.75 RAB9A (0.57) MKNK1CDC7PIM1CDK2GSK3B
SCHEMBL4414264 0.75 MAPT (0.57) ABL1TP53TTBK1TTBK2KDM4E
SCHEMBL4412416 0.74 ALDH1A1 (0.54) PIP4K2APIK3CGKDM4EALDH1A1MAPT

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 MKNK1 104/4885CDC7 880/4885ROCK2 419/4885

“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.