SCHEMBL10044752

SCHEMBL10044752

CC(C)NC(=O)c1cc(-c2ncc(F)c(N[C@@H](C(=O)NCC(F)(F)F)C(C)C)n2)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 6/20 0.37
ROCK2 O75116 2/20 0.37
MAPK1 P28482 3/20 0.36
F2 P00734 1/20 0.35
KDR P35968 2/20 0.35
AURKA O14965 2/20 0.34
CDK2 P24941 2/20 0.34
JAK3 P52333 2/20 0.33
ULK1 O75385 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL10044708 0.92 FGFR3 (0.36) FGFR3ROCK2MAPK1KDRJAK3
SCHEMBL10044717 0.90 FGFR3 (0.37) FGFR3ROCK2MAPK1KDRJAK3
SCHEMBL10044735 0.88 FGFR3 (0.37) FGFR3ROCK2KDRJAK3JAK2
SCHEMBL10044728 0.88 MCHR1 (0.34) FGFR3ROCK2KDRJAK3JAK2
SCHEMBL13305879 0.88 MCHR1 (0.34) FGFR3ROCK2KDRJAK3JAK2
SCHEMBL10044709 0.87 F2 (0.39) FGFR3MAPK1F2
SCHEMBL13305883 0.87 JAK3 (0.36) FGFR3ROCK2JAK3JAK2
SCHEMBL10044753 0.87 JAK3 (0.36) FGFR3ROCK2JAK3JAK2
SCHEMBL10044712 0.85 JAK3 (0.36) FGFR3ROCK2KDRJAK3JAK2
SCHEMBL13305882 0.85 JAK3 (0.36) FGFR3ROCK2KDRJAK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-21 US disclosed
US-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-21 US disclosed
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 US disclosed
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 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 (3 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 FGFR3 574/4885ROCK2 244/4885MAPK1 215/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 FGFR3 574/4885ROCK2 244/4885MAPK1 215/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 FGFR3 574/4885ROCK2 244/4885MAPK1 215/4885

“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.