SCHEMBL10044753

SCHEMBL10044753

CC(C)C(Nc1nc(-c2c[nH]c(C(=O)N3CCCC3)c2)ncc1F)C(=O)NCC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.36
ROCK2 O75116 2/20 0.36
FGFR3 P22607 3/20 0.35
JAK2 O60674 2/20 0.35
DDR1 Q08345 3/20 0.35
MAP3K7 O43318 2/20 0.34
TAB1 Q15750 2/20 0.34

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
SCHEMBL13305883 1.00 JAK3 (0.36) JAK3ROCK2FGFR3JAK2DDR1
SCHEMBL10044712 0.92 JAK3 (0.36) JAK3ROCK2FGFR3JAK2
SCHEMBL13305882 0.92 JAK3 (0.36) JAK3ROCK2FGFR3JAK2
SCHEMBL10044717 0.87 FGFR3 (0.37) JAK3ROCK2FGFR3JAK2
SCHEMBL10044752 0.87 FGFR3 (0.37) JAK3ROCK2FGFR3JAK2
SCHEMBL10044708 0.86 FGFR3 (0.36) JAK3ROCK2FGFR3JAK2
SCHEMBL10072160 0.85 ROCK2 (0.41) JAK3ROCK2JAK2MAP3K7TAB1
SCHEMBL10044735 0.84 FGFR3 (0.37) JAK3ROCK2FGFR3JAK2
SCHEMBL10044728 0.83 MCHR1 (0.34) JAK3ROCK2FGFR3JAK2
SCHEMBL13305879 0.83 MCHR1 (0.34) JAK3ROCK2FGFR3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-21 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-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 JAK3 3/4885ROCK2 244/4885FGFR3 574/4885

“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.