SCHEMBL7772134

SCHEMBL7772134

COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)n1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.83
CSNK1D P48730 3/20 0.83
MAPK11 Q15759 3/20 0.83
PRKD3 O94806 2/20 0.83
MAP4K4 O95819 2/20 0.83
PRKCA P17252 2/20 0.83
CSNK1A1 P48729 2/20 0.83
MINK1 Q8N4C8 2/20 0.83
MAP4K5 Q9Y4K4 2/20 0.83
MAPK13 O15264 2/20 0.83
EGFR P00533 2/20 0.83
MAPK12 P53778 2/20 0.83
KDM4E B2RXH2 1/20 0.83
RAF1 P04049 1/20 0.83
CYP1A2 P05177 1/20 0.83
LCK P06239 1/20 0.83
CYP2D6 P10635 1/20 0.83
CYP2C9 P11712 1/20 0.83
CYP2C19 P33261 1/20 0.83
FRK P42685 1/20 0.83

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
SCHEMBL7771968 1.00 MAPK14 (0.83) MAPK14CSNK1DMAPK11PRKD3MAP4K4
SCHEMBL7773635 0.99 MAPK14 (0.84) MAPK14CSNK1DMAPK11PRKD3MAP4K4
SCHEMBL7767982 0.97 MAPK14 (0.84) MAPK14CSNK1DMAPK11PRKD3MAP4K4
SCHEMBL7767926 0.96 MAPK14 (0.90) MAPK14CSNK1DMAPK11PRKD3MAP4K4
SCHEMBL30290594 0.91 MAPK14 (1.00) MAPK14CSNK1DMAPK11PRKD3MAP4K4
SCHEMBL7771993 0.91 MAPK14 (0.81) MAPK14CSNK1DMAPK11PRKD3MAP4K4
SCHEMBL173596 0.91 MAPK14 (1.00) MAPK14CSNK1DMAPK11PRKD3MAP4K4
SCHEMBL7771997 0.91 MAPK14 (0.81) MAPK14CSNK1DMAPK11PRKD3MAP4K4
SCHEMBL7775707 0.91 MAPK14 (0.81) MAPK14CSNK1DMAPK11PRKD3MAP4K4
SCHEMBL173595 0.91 MAPK14 (1.00) MAPK14CSNK1DMAPK11PRKD3MAP4K4

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-7495029-B2 Prodrugs of (2R)-2-propyloctanoic acid for the treatment of stroke MERCK & CO., INC (US) 2009-02-24 US disclosed
US-20080132488-A1 Prodrugs of (2R)-2-Propyloctanoic Acid For the Treatment of Stroke ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-05 US disclosed
US-6251914-B1 TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2001-06-26 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 (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-20080132488-A1 Prodrugs of (2R)-2-Propyloctanoic Acid For the Treatment of Stroke APEH, HCAR2, PTGDR MAPK14 2899/4885CSNK1D 3668/4885MAPK11 1820/4885

“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.