SCHEMBL5753879

SCHEMBL5753879

CSc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nnc(C3CCN(C(=O)OCc4ccccc4)CC3)c2C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 3/20 0.42
TRPC7 Q9HCX4 3/20 0.42
TRPV4 Q9HBA0 1/20 0.40
CETP P11597 1/20 0.40
JAK2 O60674 3/20 0.39
JAK1 P23458 3/20 0.39
TYK2 P29597 2/20 0.39
JAK3 P52333 2/20 0.39
F2R P25116 1/20 0.39
FAAH O00519 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
GRIN2B Q13224 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK14 Q16539 3/20 0.36
PRMT5 O14744 1/20 0.36
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36

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
SCHEMBL5752224 0.89 TRPC3 (0.43) TRPC3TRPC7TRPV4CETPJAK2
SCHEMBL7529385 0.88 MAPK13 (0.48) TRPC3TRPC7TRPV4CETPJAK2
SCHEMBL5755616 0.87 TRPC3 (0.40) TRPC3TRPC7TRPV4CETPJAK2
SCHEMBL7468591 0.86 TRPC3 (0.42) TRPC3TRPC7TRPV4CETPJAK2
SCHEMBL5785137 0.86 MAPK14 (0.54) TRPC3TRPC7MAPK14MAPK13MAPK12
SCHEMBL6170576 0.84 MAPK14 (0.49) TRPC3TRPC7TRPV4F2RFAAH
SCHEMBL6172304 0.84 MAPK14 (0.49) TRPC3TRPC7TRPV4CETPJAK2
SCHEMBL6173126 0.84 MAPK14 (0.41) TRPC3TRPC7TRPV4CETPJAK2
SCHEMBL6175245 0.82 MAPK13 (0.49) TRPC3TRPC7TRPV4CETPJAK2
SCHEMBL7455444 0.78 TRPV4 (0.40) TRPC3TRPC7TRPV4CETPJAK2

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
EP-1628665-A2 3-PHENYL-4-(PYRIMIDIN-2-YL)-6-(PIPERIDIN-4-YL) DERIVATIVES AND RELATED COMPOUNDS AS TNF-ALPHA AND IL-1 INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-03-01 EP disclosed
US-20040254178-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2004-12-16 US disclosed
WO-2004094379-A2 3-PHENYL-4- (PYRIMIDIN-2-YL) -6- (PIPERIDIN-4-YL) DERIVATIVES AND RELATED COMPOUNDS AS TNF-ALPHA AND IL-1 INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2004-11-04 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-20040254178-A1 Substituted heterocyclic compounds and methods of use MYLK2, MAPT, MUSK TRPC3 3311/4885TRPC7 4797/4885TRPV4 3418/4885

“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.