SCHEMBL4534752

SCHEMBL4534752

[CH2]c1ccc(-c2cnc3[nH]cc(C=O)c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AXL P30530 7/20 0.48
KMT2A Q03164 1/20 0.48
DYRK1A Q13627 5/20 0.47
DYRK1B Q9Y463 4/20 0.47
CLK1 P49759 3/20 0.47
DYRK2 Q92630 3/20 0.47
CDK8 P49336 1/20 0.46
TNIK Q9UKE5 1/20 0.46
GSK3B P49841 1/20 0.44
SGK1 O00141 3/20 0.43
CAMKK2 Q96RR4 1/20 0.43
NTRK1 P04629 1/20 0.42

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
SCHEMBL29898600 0.86 KIT (0.52) AXLKMT2ADYRK1ADYRK1BCLK1
SCHEMBL7870634 0.86 CLK1 (0.52) AXLKMT2ADYRK1ADYRK1BCLK1
SCHEMBL1713684 0.85 AXL (0.64) AXLKMT2ACDK8TNIKGSK3B
SCHEMBL19661650 0.80 GSK3B (0.52) AXLKMT2ACDK8TNIKGSK3B
SCHEMBL12634284 0.79 AXL (0.43) AXLKMT2ADYRK1ADYRK1BCLK1
SCHEMBL857279 0.78 KMT2A (0.60) AXLKMT2ADYRK1ACDK8TNIK
SCHEMBL12634283 0.77 KMT2A (0.44) AXLKMT2ADYRK1ADYRK1BCLK1
SCHEMBL12634905 0.75 AXL (0.59) AXLKMT2ADYRK1ACDK8TNIK
SCHEMBL24764929 0.75 KMT2A (0.54) AXLKMT2ACDK8TNIKGSK3B
SCHEMBL24023131 0.74 KIT (0.52) AXLDYRK1ADYRK1BCLK1DYRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314121-B2 Imidazolone derivatives, preparation thereof as drugs, pharmaceutical compositions, and use thereof as protein kinase inhibitors, in particular CDC7 SANOFI (FR) 2012-11-20 US disclosed
US-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI-AVENTIS (FR) 2009-10-08 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-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 CDC7, CDK7, CDK17 AXL 533/4885KMT2A 3256/4885DYRK1A 987/4885

“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.