SCHEMBL868406

SCHEMBL868406

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.45
CLK4 Q9HAZ1 7/20 0.43
APP P05067 1/20 0.41
DYRK1A Q13627 4/20 0.41
CLK1 P49759 1/20 0.40
VNN1 O95497 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
HDAC1 Q13547 1/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
NCF1 P14598 1/20 0.38

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
SCHEMBL11903385 0.92 EGFR (0.47) EGFRCLK4APPDYRK1ACLK1
SCHEMBL11903033 0.89 CLK4 (0.46) EGFRCLK4APPDYRK1ACLK1
SCHEMBL868629 0.88 PTGS2 (0.44) EGFRCLK4APPDYRK1APTGS2
SCHEMBL17476604 0.87 EGFR (0.45) EGFRCLK4APPDYRK1ACLK1
SCHEMBL17476607 0.87 CLK4 (0.41) EGFRCLK4APPDYRK1ACLK1
SCHEMBL11902826 0.84 CLK4 (0.53) EGFRCLK4APPDYRK1ACLK1
SCHEMBL11903072 0.80 CLK4 (0.44) EGFRCLK4APPDYRK1ACLK1
SCHEMBL868759 0.79 CLK4 (0.52) EGFRCLK4APPDYRK1AVNN1
SCHEMBL11903347 0.78 FYN (0.42) EGFRCLK4APPDYRK1ACYP1A2
SCHEMBL11903166 0.77 EGFR (0.48) EGFRCLK4DYRK1A

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 EGFR 48/4885CLK4 956/4885APP 3886/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K EGFR 41/4885CLK4 1033/4885APP 3787/4885

“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.