SCHEMBL11903385

SCHEMBL11903385

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
CLK4 Q9HAZ1 7/20 0.45
APP P05067 1/20 0.43
DYRK1A Q13627 4/20 0.43
CLK1 P49759 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
NCF1 P14598 1/20 0.40
PTGS2 P35354 1/20 0.39
ACP1 P24666 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
HRH4 Q9H3N8 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
SCHEMBL17476604 0.92 EGFR (0.45) EGFRCLK4APPDYRK1ACLK1
SCHEMBL868406 0.92 EGFR (0.45) EGFRCLK4APPDYRK1ACLK1
SCHEMBL11903033 0.92 CLK4 (0.46) EGFRCLK4APPDYRK1ACLK1
SCHEMBL11902826 0.86 CLK4 (0.53) EGFRCLK4APPDYRK1ACLK1
SCHEMBL868629 0.83 PTGS2 (0.44) EGFRCLK4APPDYRK1APTGS2
SCHEMBL11903072 0.82 CLK4 (0.44) EGFRCLK4APPDYRK1ACLK1
SCHEMBL17476607 0.82 CLK4 (0.41) EGFRCLK4APPDYRK1ACLK1
SCHEMBL868759 0.81 CLK4 (0.52) EGFRCLK4APPDYRK1ACYP1A1
SCHEMBL11903347 0.78 FYN (0.42) EGFRCLK4APPDYRK1ACYP1A2
SCHEMBL11903365 0.77 SYK (0.44) CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031877-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-02-04 US disclosed
US-9101632-B2 Kinase inhibitors, prodrug forms thereof and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-08-11 US disclosed
US-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-08-09 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-20160031877-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY ERBB2, MAP3K3, ERBB3 EGFR 110/4885CLK4 350/4885APP 4639/4885
US-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY ERBB2, MAP3K3, MAP3K19 EGFR 110/4885CLK4 346/4885APP 4608/4885

“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.