SCHEMBL868629

SCHEMBL868629

COc1ccc(CNc2cc3c(N)nc(-c4ccc(F)c(C(F)(F)F)c4)nc3cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
USP1 O94782 2/20 0.44
WDR48 Q8TAF3 2/20 0.44
MAPT P10636 6/20 0.43
TP53 P04637 3/20 0.43
AR P10275 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
SCD O00767 1/20 0.42
CLK4 Q9HAZ1 3/20 0.41
APP P05067 1/20 0.40
DYRK1A Q13627 1/20 0.40
ACP1 P24666 1/20 0.40
EGFR P00533 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL868406 0.88 EGFR (0.45) PTGS2MAPTTP53CLK4APP
SCHEMBL17476607 0.85 CLK4 (0.41) PTGS2MAPTTP53CLK4APP
SCHEMBL11902826 0.83 CLK4 (0.53) SCDCLK4APPDYRK1AACP1
SCHEMBL11903385 0.83 EGFR (0.47) PTGS2MAPTCLK4APPDYRK1A
SCHEMBL11903033 0.80 CLK4 (0.46) SCDCLK4APPDYRK1AACP1
SCHEMBL17476604 0.80 EGFR (0.45) SCDCLK4APPDYRK1AACP1
SCHEMBL11903072 0.78 CLK4 (0.44) SCDCLK4APPDYRK1AACP1
SCHEMBL868759 0.78 CLK4 (0.52) USP1WDR48TP53CLK4APP
SCHEMBL11903347 0.76 FYN (0.42) CLK4APPDYRK1AACP1EGFR
SCHEMBL11903166 0.76 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 4 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
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 PTGS2 2931/4885USP1 2634/4885WDR48 2689/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K PTGS2 2871/4885USP1 2469/4885WDR48 2746/4885

“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.