SCHEMBL868759

SCHEMBL868759

C#Cc1cccc(-c2nc(N)c3cc(NCc4ccc(OC)cc4)ncc3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 10/20 0.52
DYRK1A Q13627 6/20 0.52
EGFR P00533 1/20 0.44
APP P05067 1/20 0.43
CYP1A2 P05177 5/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 4/20 0.42
CYP2D6 P10635 4/20 0.42
TSHR P16473 4/20 0.42
CYP2C19 P33261 4/20 0.42
LMNA P02545 3/20 0.42
USP2 O75604 3/20 0.42
CYP2C9 P11712 3/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 2/20 0.41
PTGDR Q13258 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL11903072 0.84 CLK4 (0.44) CLK4DYRK1AEGFRAPPCYP1A2
SCHEMBL17476607 0.84 CLK4 (0.41) CLK4DYRK1AEGFRAPPCYP1A2
SCHEMBL11902826 0.81 CLK4 (0.53) CLK4DYRK1AEGFRAPPCYP1A2
SCHEMBL11903385 0.81 EGFR (0.47) CLK4DYRK1AEGFRAPPCYP1A2
SCHEMBL868406 0.79 EGFR (0.45) CLK4DYRK1AEGFRAPPCYP1A2
SCHEMBL11903033 0.79 CLK4 (0.46) CLK4DYRK1AEGFRAPPCYP1A2
SCHEMBL17476604 0.79 EGFR (0.45) CLK4DYRK1AEGFRAPPCYP1A2
SCHEMBL868629 0.78 PTGS2 (0.44) CLK4DYRK1AEGFRAPPTP53
SCHEMBL11903347 0.77 FYN (0.42) CLK4DYRK1AEGFRAPPCYP1A2
SCHEMBL11903166 0.75 EGFR (0.48) CLK4DYRK1AEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3031807-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY Auckland UniServices Limited (NZ) 2016-06-15 EP disclosed
EP-2406262-B1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LTD (NZ) 2016-02-17 EP disclosed
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 US disclosed
US-9073916-B2 Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-07 US disclosed
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 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 (2 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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K CLK4 956/4885DYRK1A 299/4885EGFR 48/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K CLK4 1033/4885DYRK1A 360/4885EGFR 41/4885

“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.