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Sugi Predict / Compounds / SCHEMBL10044708

SCHEMBL10044708

SCHEMBL10044708

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FGFR3 P22607 5/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ KDR P35968 2/20 0.34
▸ ULK1 O75385 3/20 0.34
▸ JAK3 P52333 4/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ JAK1 P23458 2/20 0.33
▸ TYK2 P29597 2/20 0.33
▸ MAPK1 P28482 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
SCHEMBL10044752 0.92 FGFR3 (0.37) FGFR3ROCK2KDRULK1JAK3
SCHEMBL10044717 0.91 FGFR3 (0.37) FGFR3ROCK2KDRULK1JAK3
SCHEMBL10044735 0.89 FGFR3 (0.37) FGFR3ROCK2KDRJAK3JAK2
SCHEMBL13305879 0.88 MCHR1 (0.34) FGFR3ROCK2KDRJAK3JAK2
SCHEMBL10044728 0.88 MCHR1 (0.34) FGFR3ROCK2KDRJAK3JAK2
SCHEMBL10044709 0.88 F2 (0.39) FGFR3HTTMAPK1
SCHEMBL13305883 0.86 JAK3 (0.36) FGFR3ROCK2JAK3JAK2
SCHEMBL10044753 0.86 JAK3 (0.36) FGFR3ROCK2JAK3JAK2
SCHEMBL10044712 0.86 JAK3 (0.36) FGFR3ROCK2KDRJAK3JAK2
SCHEMBL13305882 0.86 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 244/4885CCNC 581/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 FGFR3 574/4885ROCK2 244/4885CCNC 581/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 FGFR3 574/4885ROCK2 244/4885CCNC 581/4885

“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.