SCHEMBL5033064

SCHEMBL5033064

N#Cc1cccc(Nc2ncnc3c2ccn3C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.59
ABCG2 Q9UNQ0 3/20 0.57
MAPT P10636 2/20 0.55
EGFR P00533 6/20 0.51
AURKA O14965 2/20 0.49
RPS6KB1 P23443 1/20 0.49
CSNK2A1 P68400 2/20 0.48
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A3 Q8NEV1 1/20 0.48
F9 P00740 1/20 0.47
PIP4K2A P48426 1/20 0.47
PIK3CG P48736 1/20 0.47
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44

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
SCHEMBL4414264 0.82 MAPT (0.57) TP53MAPTEGFRALDH1A1NPC1
SCHEMBL4421383 0.82 RAB9A (0.57) ABCG2MAPTEGFRPIP4K2APIK3CG
SCHEMBL4427009 0.82 AURKA (0.58) ABCG2EGFRAURKARPS6KB1AURKB
SCHEMBL4415185 0.82 LMNA (0.58) TP53MAPTEGFRPIP4K2APIK3CG
SCHEMBL4423001 0.81 ALDH1A1 (0.54) MAPTEGFRAURKARPS6KB1CSNK2A1
SCHEMBL4412294 0.81 PIP4K2A (0.69) TP53ABCG2MAPTEGFRPIP4K2A
SCHEMBL4412666 0.81 PIP4K2A (0.48) MAPTEGFRAURKARPS6KB1PIP4K2A
SCHEMBL4415573 0.80 PIP4K2A (0.47) TP53ABCG2MAPTEGFRCSNK2A1
SCHEMBL4416404 0.80 ABCG2 (0.57) TP53ABCG2MAPTEGFRPIP4K2A
SCHEMBL4415661 0.80 EGFR (0.52) ABCG2MAPTEGFRPIP4K2APIK3CG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7338957-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-03-04 US claimed
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

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 TP53 673/4885ABCG2 1387/4885MAPT 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.