Sugi Predict

Sugi Predict / Compounds / SCHEMBL10072309

SCHEMBL10072309

SCHEMBL10072309

O=C(NCC(F)(F)F)[C@H]1CCCN1c1ccnc(-c2c[nH]c(C(=O)N3CC=CC3)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.36
▸ FGFR3 P22607 3/20 0.36
▸ KDR P35968 3/20 0.36
▸ NOS2 P35228 1/20 0.35
▸ AADAT Q8N5Z0 5/20 0.35
▸ CTSS P25774 1/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ ERG P11308 2/20 0.33
▸ GPBAR1 Q8TDU6 2/20 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
SCHEMBL10044787 0.94 F2 (0.37) F2FGFR3KDRNOS2AADAT
SCHEMBL10072093 0.86 ROCK2 (0.37) F2FGFR3KDRNOS2AADAT
SCHEMBL10044745 0.85 GUCY1B2 (0.37) F2AADATJAK2JAK1JAK3
SCHEMBL10072354 0.84 AADAT (0.46) AADAT
SCHEMBL10044688 0.82 AADAT (0.39) FGFR3KDRNOS2AADATCTSS
SCHEMBL10044801 0.79 AADAT (0.40) FGFR3KDRNOS2AADATCTSS
SCHEMBL10044716 0.78 GUCY1B2 (0.38) F2AADATJAK2JAK1JAK3
SCHEMBL2630237 0.77 JAK3 (0.42) JAK2JAK1JAK3ROCK2ROCK1
SCHEMBL10044797 0.76 FPR2 (0.43) NOS2AADATCTSS
SCHEMBL2630056 0.76 JAK3 (0.41) JAK2JAK1JAK3ROCK2ROCK1

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 F2 1603/4885FGFR3 574/4885KDR 997/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 F2 1603/4885FGFR3 574/4885KDR 997/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 F2 1603/4885FGFR3 574/4885KDR 997/4885

“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.