SCHEMBL3688902

SCHEMBL3688902

O=C1C=C(c2ccc3[nH]nc(Br)c3c2)C2CCCC12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 15/20 0.34
WNT1 P04628 6/20 0.34
JAK2 O60674 3/20 0.31
GSK3B P49841 3/20 0.31
DCLK1 O15075 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
CHEK2 O96017 1/20 0.31
CSF1R P07333 1/20 0.31
FER P16591 1/20 0.31
CDK2 P24941 1/20 0.31
MARK3 P27448 1/20 0.31
FLT4 P35916 1/20 0.31
FLT3 P36888 1/20 0.31
MAPK9 P45984 1/20 0.31
CSNK1D P48730 1/20 0.31
CLK2 P49760 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK1G2 P78368 1/20 0.31
MAP4K2 Q12851 1/20 0.31

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
SCHEMBL3723548 0.79 DYRK1A (0.34) DYRK1AWNT1JAK2GSK3BDCLK1
SCHEMBL3685067 0.74 CDC7 (0.46) DYRK1AJAK2GSK3BPRKD3MAP4K4
SCHEMBL17801062 0.70 BTK (0.50) DYRK1AJAK2GSK3BDCLK1PRKD3
SCHEMBL3737094 0.67 DYRK1A (0.35) DYRK1AWNT1JAK2GSK3BDCLK1
SCHEMBL31391692 0.66 CYP1A2 (0.44) DYRK1AWNT1JAK2GSK3BDCLK1
SCHEMBL3684525 0.66 HSD17B1 (0.36) GSK3B
SCHEMBL3725984 0.66 CYP3A4 (0.34)
SCHEMBL3687391 0.65 ESR2 (0.43)
SCHEMBL3685069 0.65 HSD17B1 (0.37) GSK3BCSNK2A1
SCHEMBL3680437 0.65 HSD17B1 (0.44)

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-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US disclosed
EP-2176209-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-04-21 EP disclosed
WO-2009012954-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-01-29 WO 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-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, ESR2 DYRK1A 1638/4885WNT1 651/4885JAK2 630/4885

“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.