Sugi Predict

Sugi Predict / Compounds / SCHEMBL10044735

SCHEMBL10044735

SCHEMBL10044735

CC(C)[C@@H](Nc1nc(-c2c[nH]c(C(=O)NC3CC3)c2)ncc1F)C(=O)NCC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FGFR3 P22607 3/20 0.37
▸ KDR P35968 1/20 0.37
▸ HPGDS O60760 2/20 0.34
▸ JAK3 P52333 4/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ JAK2 O60674 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ MAPK14 Q16539 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
SCHEMBL13305879 0.90 MCHR1 (0.34) FGFR3KDRJAK3ROCK2JAK2
SCHEMBL10044728 0.90 MCHR1 (0.34) FGFR3KDRJAK3ROCK2JAK2
SCHEMBL10044708 0.89 FGFR3 (0.36) FGFR3KDRJAK3ROCK2JAK2
SCHEMBL10044752 0.88 FGFR3 (0.37) FGFR3KDRJAK3ROCK2JAK2
SCHEMBL10044717 0.87 FGFR3 (0.37) FGFR3KDRJAK3ROCK2JAK2
SCHEMBL10044709 0.84 F2 (0.39) FGFR3CYP2C9MAPK14
SCHEMBL10044753 0.84 JAK3 (0.36) FGFR3JAK3ROCK2JAK2
SCHEMBL13305883 0.84 JAK3 (0.36) FGFR3JAK3ROCK2JAK2
SCHEMBL10044712 0.84 JAK3 (0.36) FGFR3KDRJAK3ROCK2JAK2
SCHEMBL13305882 0.84 JAK3 (0.36) FGFR3KDRJAK3ROCK2JAK2

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 574/4885KDR 997/4885HPGDS 412/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 FGFR3 574/4885KDR 997/4885HPGDS 412/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 FGFR3 574/4885KDR 997/4885HPGDS 412/4885

“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.