SCHEMBL11903347

SCHEMBL11903347

COc1ccc(CNc2cc3c(N)nc(-c4ccc(OCc5cccc(Cl)c5)c(Cl)c4)nc3cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.42
DHFR P00374 1/20 0.42
EGFR P00533 1/20 0.41
CLK4 Q9HAZ1 6/20 0.41
DYRK1A Q13627 2/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 2/20 0.40
RAF1 P04049 1/20 0.40
SMARCA2 P51531 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
APP P05067 1/20 0.38
MAP4K4 O95819 1/20 0.38
ACP1 P24666 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2A1 P68400 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 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
SCHEMBL11903365 0.87 SYK (0.44) CLK4LMNA
SCHEMBL11902826 0.85 CLK4 (0.53) EGFRCLK4DYRK1AAPPACP1
SCHEMBL17476604 0.83 EGFR (0.45) EGFRCLK4DYRK1AAPPACP1
SCHEMBL11902447 0.81 DHFR (0.47) DHFRMRGPRX4MAP4K4
SCHEMBL11903033 0.81 CLK4 (0.46) EGFRCLK4DYRK1AAPPACP1
SCHEMBL2949081 0.79 DHFR (0.45) DHFREGFRHTTMAPK1RAF1
SCHEMBL11903072 0.79 CLK4 (0.44) EGFRCLK4DYRK1AAPPACP1
SCHEMBL11903385 0.78 EGFR (0.47) EGFRCLK4DYRK1AAPPACP1
SCHEMBL868406 0.78 EGFR (0.45) EGFRCLK4DYRK1AAPPCYP1A2
SCHEMBL868759 0.77 CLK4 (0.52) EGFRCLK4DYRK1AMAPK1APP

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 FYN 573/4885DHFR 749/4885EGFR 110/4885
US-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY ERBB2, MAP3K3, MAP3K19 FYN 582/4885DHFR 764/4885EGFR 110/4885

“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.