Sugi Predict

Sugi Predict / Compounds / SCHEMBL10044748

SCHEMBL10044748

SCHEMBL10044748

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FGFR3 P22607 7/20 0.42
▸ KDR P35968 5/20 0.42
▸ HPGDS O60760 2/20 0.38
▸ BUB1 O43683 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ PRKACG P22612 1/20 0.35
▸ MAPKAPK2 P49137 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ ACSL5 Q9ULC5 1/20 0.35
▸ STK24 Q9Y6E0 1/20 0.35
▸ JAK3 P52333 4/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ ULK1 O75385 3/20 0.35
▸ JAK2 O60674 2/20 0.34
▸ SMYD3 Q9H7B4 1/20 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
SCHEMBL10044691 0.88 FGFR3 (0.40) FGFR3KDRJAK3ROCK2ULK1
SCHEMBL10044788 0.87 FGFR3 (0.39) FGFR3KDRJAK3ROCK2ULK1
SCHEMBL10044692 0.86 FGFR3 (0.39) FGFR3KDRMAPK14JAK3ROCK2
SCHEMBL10044678 0.84 ROCK2 (0.44) HPGDSMAPK14JAK3ROCK2JAK2
SCHEMBL10044749 0.83 PKM (0.40) FGFR3KDRHPGDSCYP2C9MAPK14
SCHEMBL10044750 0.83 JAK3 (0.37) FGFR3KDRJAK3ROCK2JAK2
SCHEMBL10044735 0.83 FGFR3 (0.37) FGFR3KDRHPGDSCYP2C9MAPK11
SCHEMBL10044689 0.78 FGFR3 (0.39) FGFR3KDRJAK3ROCK2ULK1
SCHEMBL10044772 0.75 FGFR3 (0.42) FGFR3KDRULK1
SCHEMBL13305879 0.74 MCHR1 (0.34) 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.