Sugi Predict

Sugi Predict / Compounds / SCHEMBL10044709

SCHEMBL10044709

SCHEMBL10044709

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ MAPK7 Q13164 3/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ LMNA P02545 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 3/20 0.38
▸ HPGD P15428 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ FGFR3 P22607 1/20 0.36
▸ EPHX2 P34913 1/20 0.36

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
SCHEMBL10044708 0.88 FGFR3 (0.36) MAPK1HTTFGFR3
SCHEMBL10044717 0.88 FGFR3 (0.37) MAPK1FGFR3
SCHEMBL10044752 0.87 FGFR3 (0.37) F2MAPK1FGFR3
SCHEMBL10072600 0.86 LMNA (0.41) F2MAPK1PKMMAPK10MAPK7
SCHEMBL10044728 0.85 MCHR1 (0.34) ALDH1A1HPGDFGFR3
SCHEMBL13305879 0.85 MCHR1 (0.34) ALDH1A1HPGDFGFR3
SCHEMBL10044735 0.84 FGFR3 (0.37) MAPK14CYP2C9FGFR3
SCHEMBL10044749 0.83 PKM (0.40) MAPK1PKMMAPK10MAPK7MAPK14
SCHEMBL10044753 0.81 JAK3 (0.36) FGFR3
SCHEMBL10044712 0.81 JAK3 (0.36) FGFR3

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 F2 1603/4885MAPK1 215/4885PKM 762/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 F2 1603/4885MAPK1 215/4885PKM 762/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 F2 1603/4885MAPK1 215/4885PKM 762/4885

“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.