SCHEMBL17829680

SCHEMBL17829680

Clc1ccc2[nH]nc(-c3cccc(-c4ccccc4)c3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.59
TTK P33981 4/20 0.56
DCLK1 O15075 1/20 0.54
PRKD3 O94806 1/20 0.54
MAP4K4 O95819 1/20 0.54
CHEK2 O96017 1/20 0.54
CSF1R P07333 1/20 0.54
FER P16591 1/20 0.54
CDK2 P24941 1/20 0.54
MARK3 P27448 1/20 0.54
FLT4 P35916 1/20 0.54
FLT3 P36888 1/20 0.54
MAPK9 P45984 1/20 0.54
CSNK1D P48730 1/20 0.54
CLK2 P49760 1/20 0.54
CSNK2A1 P68400 1/20 0.54
CSNK1G2 P78368 1/20 0.54
MAP4K2 Q12851 1/20 0.54
STK3 Q13188 1/20 0.54
CAMK2B Q13554 1/20 0.54

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
SCHEMBL11836042 0.90 MAP4K4 (0.65) MKNK1TTKDCLK1PRKD3MAP4K4
SCHEMBL17306477 0.87 MKNK1 (0.76) MKNK1TTKDCLK1PRKD3MAP4K4
SCHEMBL17829688 0.83 PDPK1 (0.57) MKNK1CDK2MAPK9JAK2KDM4E
SCHEMBL17829681 0.83 DCLK1 (0.60) MKNK1TTKDCLK1PRKD3MAP4K4
SCHEMBL18977088 0.82 TTK (0.75) MKNK1TTKDCLK1PRKD3MAP4K4
SCHEMBL19597646 0.80 TTK (0.72) MKNK1TTKDCLK1PRKD3MAP4K4
SCHEMBL17306449 0.80 MKNK1 (0.87) MKNK1TTKDCLK1PRKD3MAP4K4
SCHEMBL10535374 0.77 MKNK1 (0.61) MKNK1JAK2HTR2AMAPK1MAP2K4
SCHEMBL17829693 0.76 HTR2A (0.46) MKNK1TTKDCLK1PRKD3MAP4K4
SCHEMBL17829687 0.76 IDO1 (0.47) MKNK1TTKDCLK1PRKD3MAP4K4

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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 MKNK1 1586/4885TTK 2038/4885DCLK1 3274/4885

“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.