SCHEMBL4237478

SCHEMBL4237478

Nc1cccc(Nc2ccnc(Nc3cccc(C(F)(F)F)c3)n2)c1

nearest known ligand 0.85

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 17/20 0.85
SYK P43405 2/20 0.65
LCK P06239 1/20 0.65
IGF1R P08069 1/20 0.65
EIF2AK2 P19525 1/20 0.65
BMX P51813 1/20 0.65
MAPK8 P45983 1/20 0.61
KDM4E B2RXH2 1/20 0.60

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
SCHEMBL3694510 1.00 AURKA (0.85) AURKASYKLCKIGF1REIF2AK2
SCHEMBL653992 0.88 SYK (0.68) AURKASYK
SCHEMBL654448 0.84 AURKA (0.67) AURKASYKLCKIGF1REIF2AK2
SCHEMBL20927073 0.84 AURKA (0.73) AURKASYKMAPK8KDM4E
SCHEMBL25336406 0.83 CAMK2D (0.69) AURKASYKKDM4E
SCHEMBL30554563 0.83 CAMK2D (0.69) AURKASYKKDM4E
SCHEMBL29655511 0.83 AURKA (0.72) AURKASYKLCKIGF1REIF2AK2
SCHEMBL4237476 0.82 AURKA (1.00) AURKASYKLCKIGF1REIF2AK2
SCHEMBL3694508 0.82 AURKA (1.00) AURKASYKLCKIGF1REIF2AK2
SCHEMBL13166084 0.81 TNNI3K (0.63) AURKASYKMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC 2009-07-16 US claimed
EP-1943233-A2 COMPOUNDS AND COMPOSITIONS FOR PROTEIN KINASE INHBITORS IRM, LLC (BM) 2008-07-16 EP claimed
WO-2007056151-A2 PROTEIN KINASE INHBITORS IRM LLC (BM) 2007-05-18 WO claimed
US-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC 2009-07-16 US disclosed
EP-1943233-A2 COMPOUNDS AND COMPOSITIONS FOR PROTEIN KINASE INHBITORS IRM, LLC (BM) 2008-07-16 EP disclosed
WO-2007056151-A2 PROTEIN KINASE INHBITORS IRM LLC (BM) 2007-05-18 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-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ERBB2, BMX, ERBB3 AURKA 43/4885SYK 17/4885LCK 4/4885

“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.