Sugi Predict

Sugi Predict / Compounds / SCHEMBL10072093

SCHEMBL10072093

SCHEMBL10072093

CC(C)NC(=O)c1cc(-c2nccc(N3CCC[C@@H]3C(=O)NCC(F)(F)F)n2)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.37
▸ AADAT Q8N5Z0 5/20 0.36
▸ FGFR3 P22607 2/20 0.36
▸ KDR P35968 2/20 0.36
▸ ITGB2 P05107 2/20 0.36
▸ ICAM1 P05362 2/20 0.36
▸ ITGAL P20701 2/20 0.36
▸ ROCK1 Q13464 2/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ P2RY12 Q9H244 1/20 0.35
▸ F2 P00734 2/20 0.35
▸ ELANE P08246 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ERG P11308 1/20 0.34
▸ GPBAR1 Q8TDU6 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
SCHEMBL10044787 0.87 F2 (0.37) ROCK2AADATFGFR3KDRROCK1
SCHEMBL10072354 0.87 AADAT (0.46) AADAT
SCHEMBL10072309 0.86 F2 (0.36) ROCK2AADATFGFR3KDRROCK1
SCHEMBL10044711 0.85 GUCY1B2 (0.37) ROCK2AADATFGFR3P2RY12F2
SCHEMBL10044688 0.82 AADAT (0.39) AADATFGFR3KDRNOS2CTSS
SCHEMBL10044797 0.80 FPR2 (0.43) AADATITGB2ICAM1ITGALNOS2
SCHEMBL10044801 0.79 AADAT (0.40) AADATFGFR3KDRNOS2CTSS
SCHEMBL10044643 0.78 FPR2 (0.41) AADATFGFR3KDRITGB2ICAM1
SCHEMBL10044742 0.77 GUCY1B2 (0.38) AADATF2
SCHEMBL10044650 0.76 NOS2 (0.53) AADATFGFR3KDRITGB2ICAM1

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 5 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-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 ROCK2 244/4885AADAT 1255/4885FGFR3 574/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 ROCK2 244/4885AADAT 1255/4885FGFR3 574/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 ROCK2 244/4885AADAT 1255/4885FGFR3 574/4885

“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.