Sugi Predict

Sugi Predict / Compounds / SCHEMBL10044598

SCHEMBL10044598

SCHEMBL10044598

COc1ccc(-c2ncc(F)c(NCC(=O)NCC(F)(F)F)n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FGFR3 P22607 7/20 0.41
▸ KDR P35968 4/20 0.39
▸ PDE5A O76074 3/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ PDE6A P16499 2/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ GABRA5 P31644 2/20 0.38
▸ PIK3CA P42336 2/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ ULK1 O75385 1/20 0.37
▸ ABL1 P00519 1/20 0.37

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
SCHEMBL10044592 0.90 FGFR3 (0.41) FGFR3KDRPDE5AMKNK1MKNK2
SCHEMBL10044585 0.87 FGFR3 (0.41) FGFR3KDRULK1
SCHEMBL10044647 0.83 GABRA5 (0.41) FGFR3KDRPDE5AMKNK1MKNK2
SCHEMBL10044595 0.82 PTGES (0.40) FGFR3KDRPDE5AMKNK1MKNK2
SCHEMBL10044599 0.81 PDE4B (0.45) FGFR3KDRGABRA5
SCHEMBL10044660 0.81 PTGES (0.39) FGFR3KDRMKNK1MKNK2GABRA5
SCHEMBL10044591 0.77 FGFR3 (0.43) FGFR3KDRPIK3CAPIK3CGULK1
SCHEMBL10044589 0.75 JAK3 (0.45) FGFR3KDRABL1
SCHEMBL10044603 0.73 JAK3 (0.44) FGFR3KDRMKNK1MKNK2
SCHEMBL10044732 0.71 ULK1 (0.42) FGFR3KDRGABRA5ULK1

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 997/4885PDE5A 2318/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 FGFR3 574/4885KDR 997/4885PDE5A 2318/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 FGFR3 574/4885KDR 997/4885PDE5A 2318/4885

“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.