Sugi Predict

Sugi Predict / Compounds / SCHEMBL10044595

SCHEMBL10044595

SCHEMBL10044595

COc1ccc(-c2ncc(F)c(N[C@H](C)C(=O)NCC(F)(F)F)n2)cn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 3/20 0.40
▸ FGFR3 P22607 6/20 0.38
▸ XIAP P98170 1/20 0.38
▸ BIRC2 Q13490 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ GABRA5 P31644 3/20 0.37
▸ FPR2 P25090 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ KDR P35968 2/20 0.36
▸ PDE5A O76074 1/20 0.36
▸ ULK1 O75385 1/20 0.36
▸ PIK3CA P42336 1/20 0.35

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
SCHEMBL10044660 0.90 PTGES (0.39) PTGESFGFR3XIAPBIRC2MKNK1
SCHEMBL10044616 0.89 FGFR3 (0.39) FGFR3KDRULK1
SCHEMBL10044583 0.89 FGFR3 (0.39) FGFR3KDRULK1
SCHEMBL10044586 0.87 PI4KB (0.41) FGFR3KDRULK1
SCHEMBL10044582 0.84 FGFR3 (0.39) FGFR3GABRA5KDR
SCHEMBL10044584 0.83 USP1 (0.42) FGFR3GABRA5KDR
SCHEMBL10044596 0.83 USP1 (0.42) FGFR3GABRA5KDR
SCHEMBL10044598 0.82 FGFR3 (0.41) FGFR3MKNK1MKNK2GABRA5KDR
SCHEMBL10044647 0.81 GABRA5 (0.41) PTGESFGFR3MKNK1MKNK2GABRA5
SCHEMBL10044592 0.80 FGFR3 (0.41) FGFR3MKNK1MKNK2GABRA5SCN9A

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 PTGES 683/4885FGFR3 574/4885XIAP 411/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 PTGES 683/4885FGFR3 574/4885XIAP 411/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 PTGES 683/4885FGFR3 574/4885XIAP 411/4885

“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.