Sugi Predict

Sugi Predict / Compounds / SCHEMBL10044667

SCHEMBL10044667

SCHEMBL10044667

CC(C)(Nc1nc(-c2ccc3nc(N)sc3c2)ncc1F)C(=O)NCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 14/20 0.42
▸ PI4KB Q9UBF8 14/20 0.42
▸ PIK3CA P42336 12/20 0.42
▸ PIP5K1C O60331 5/20 0.42
▸ PIK3CD O00329 12/20 0.41
▸ PIK3CG P48736 12/20 0.41
▸ PIK3CB P42338 11/20 0.41
▸ FGFR3 P22607 5/20 0.40
▸ KDR P35968 3/20 0.38
▸ ALKBH5 Q6P6C2 1/20 0.37
▸ FTO Q9C0B1 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
SCHEMBL10044665 0.87 PIK3CA (0.48) PIK3CAPIK3CG
SCHEMBL10044790 0.86 FGFR3 (0.41) FGFR3KDR
SCHEMBL10044668 0.85 PI4KA (0.47) PI4KAPI4KBPIK3CAPIP5K1CPIK3CD
SCHEMBL10044780 0.83 FGFR3 (0.42) FGFR3KDR
SCHEMBL10044687 0.82 PI4KA (0.40) PI4KAPI4KBPIK3CAPIP5K1CPIK3CD
SCHEMBL10044648 0.81 FGFR3 (0.43) FGFR3KDR
SCHEMBL10044772 0.80 FGFR3 (0.42) FGFR3KDR
SCHEMBL10044732 0.78 ULK1 (0.42) FGFR3KDR
SCHEMBL10044773 0.78 PRMT7 (0.46) FGFR3KDR
SCHEMBL10044644 0.78 PRMT7 (0.46) FGFR3KDR

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 7 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
WO-2008116139-A2 N-HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-25 — — WO 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 PI4KA 101/4885PI4KB 141/4885PIK3CA 52/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 PI4KA 101/4885PI4KB 141/4885PIK3CA 52/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 PI4KA 101/4885PI4KB 141/4885PIK3CA 52/4885

“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.