Sugi Predict

Sugi Predict / Compounds / SCHEMBL10044749

SCHEMBL10044749

SCHEMBL10044749

CC(C)(Nc1nc(-c2c[nH]c(C(=O)NCc3ccccc3)c2)ncc1F)C(=O)NCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ MAPK7 Q13164 4/20 0.40
▸ MAPK14 Q16539 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ FGFR3 P22607 3/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ HPGDS O60760 1/20 0.37
▸ ROCK2 O75116 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
SCHEMBL10044691 0.88 FGFR3 (0.40) FGFR3ROCK2ROCK1KDRJAK2
SCHEMBL10044788 0.87 FGFR3 (0.39) FGFR3ROCK2ROCK1KDRJAK2
SCHEMBL10044705 0.86 ROCK2 (0.47) PKMMAPK1MAPK10MAPK7MAPK14
SCHEMBL10044692 0.85 FGFR3 (0.39) MAPK14FGFR3ROCK2ROCK1KDR
SCHEMBL10044748 0.83 FGFR3 (0.42) MAPK14CYP2C9FGFR3HPGDSROCK2
SCHEMBL10044709 0.83 F2 (0.39) PKMMAPK1MAPK10MAPK7MAPK14
SCHEMBL10044750 0.80 JAK3 (0.37) FGFR3ROCK2ROCK1KDRJAK2
SCHEMBL10044689 0.79 FGFR3 (0.39) FGFR3ROCK2ROCK1KDRJAK2
SCHEMBL10044772 0.76 FGFR3 (0.42) FGFR3KDR
SCHEMBL10044734 0.74 AADAT (0.45) —

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 PKM 762/4885MAPK1 215/4885MAPK10 204/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 PKM 762/4885MAPK1 215/4885MAPK10 204/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 PKM 762/4885MAPK1 215/4885MAPK10 204/4885

“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.