Sugi Predict

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SCHEMBL10044643

SCHEMBL10044643

COc1ccc(-c2nccc(N3CCC[C@@H]3C(=O)NCC(F)(F)F)n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 2/20 0.41
▸ SCN9A Q15858 2/20 0.41
▸ SYK P43405 1/20 0.39
▸ AADAT Q8N5Z0 4/20 0.39
▸ ITGB2 P05107 1/20 0.39
▸ ICAM1 P05362 1/20 0.39
▸ ITGAL P20701 1/20 0.39
▸ FGFR3 P22607 3/20 0.38
▸ KDR P35968 3/20 0.38
▸ PDK2 Q15119 2/20 0.38
▸ HPGDS O60760 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ TBK1 Q9UHD2 1/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ CD274 Q9NZQ7 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
SCHEMBL10044797 0.89 FPR2 (0.43) FPR2SCN9AAADATITGB2ICAM1
SCHEMBL10044801 0.85 AADAT (0.40) FPR2SCN9ASYKAADATFGFR3
SCHEMBL10044694 0.85 AADAT (0.41) SCN9AAADATPDK2JAK2JAK1
SCHEMBL10044688 0.81 AADAT (0.39) SCN9AAADATFGFR3KDRJAK2
SCHEMBL10044650 0.80 NOS2 (0.53) FPR2SCN9AAADATITGB2ICAM1
SCHEMBL10044652 0.80 GSK3B (0.45) AADATFGFR3KDRCTSS
SCHEMBL10044804 0.79 AADAT (0.39) SYKAADATFGFR3KDR
SCHEMBL10072093 0.78 ROCK2 (0.37) AADATITGB2ICAM1ITGALFGFR3
SCHEMBL10044645 0.77 PIK3CA (0.42) AADATFGFR3KDRPIK3CDPIK3CA
SCHEMBL10044646 0.77 PIK3CA (0.44) PIK3CDPIK3CAPIK3CBPIK3CG

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 FPR2 2485/4885SCN9A 3942/4885SYK 207/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 FPR2 2485/4885SCN9A 3942/4885SYK 207/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 FPR2 2485/4885SCN9A 3942/4885SYK 207/4885

“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.