SCHEMBL4065742

SCHEMBL4065742

c1ccc(-c2cc3ncnc(NCC4CCCO4)c3s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 6/20 0.55
LCK P06239 2/20 0.55
ABL1 P00519 1/20 0.55
LYN P07948 1/20 0.55
BTK Q06187 1/20 0.55
PDE5A O76074 1/20 0.52
FLT1 P17948 2/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HTT P42858 3/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CLK1 P49759 1/20 0.50
CLK2 P49760 1/20 0.50
CLK3 P49761 1/20 0.50
DYRK1A Q13627 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50

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
SCHEMBL24466974 0.83 FLT1 (0.58) FLT1ALDH1A1KDM4EHTTMAPK1
SCHEMBL4065154 0.82 FLT1 (0.55) FLT1NPC1RAB9ACLK1CLK2
SCHEMBL2966253 0.74 TNK2 (0.65) TNK2LCKABL1LYNBTK
SCHEMBL2966258 0.74 TNK2 (0.65) TNK2LCKABL1LYNBTK
SCHEMBL14431825 0.73 IKBKB (0.67)
SCHEMBL4067658 0.73 FLT1 (0.61) FLT1ALDH1A1KDM4EHTTMAPK1
SCHEMBL4067731 0.73 FLT1 (0.57) PDE5AFLT1ALDH1A1KDM4EMAPK1
SCHEMBL3928235 0.73 RAD52 (0.59) FLT1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL2368726 0.72 HTT (0.66) TNK2LCKABL1LYNBTK
SCHEMBL3930448 0.72 FLT1 (0.56) FLT1ALDH1A1KDM4EHTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042878-A1 THIENOPYRIMIDYLAMINES AS MODULATORS OF THE EP2 RECEPTOR BAYER SHERING PHARMA AG (DE) 2009-02-12 US claimed
EP-2014663-A1 Thieno-pyrimidyl amines as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2009-01-14 EP claimed
US-20090042878-A1 THIENOPYRIMIDYLAMINES AS MODULATORS OF THE EP2 RECEPTOR BAYER SHERING PHARMA AG (DE) 2009-02-12 US disclosed
US-20090042878-A1 THIENOPYRIMIDYLAMINES AS MODULATORS OF THE EP2 RECEPTOR BAYER SHERING PHARMA AG (DE) 2009-02-12 US disclosed
US-20090042878-A1 THIENOPYRIMIDYLAMINES AS MODULATORS OF THE EP2 RECEPTOR BAYER SHERING PHARMA AG (DE) 2009-02-12 US disclosed
EP-2014663-A1 Thieno-pyrimidyl amines as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2009-01-14 EP 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 (1 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-20090042878-A1 THIENOPYRIMIDYLAMINES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 TNK2 873/4885LCK 2164/4885ABL1 1304/4885

“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.