Sugi Predict

Sugi Predict / Compounds / SCHEMBL10062829

SCHEMBL10062829

SCHEMBL10062829

O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 5/20 0.76
▸ ITK Q08881 10/20 0.67
▸ AURKB Q96GD4 4/20 0.67
▸ INCENP Q9NQS7 4/20 0.67
▸ AURKA O14965 3/20 0.67
▸ KIT P10721 4/20 0.60
▸ SRC P12931 3/20 0.60
▸ FLT3 P36888 3/20 0.60
▸ BRAF P15056 4/20 0.50
▸ ROCK2 O75116 1/20 0.50
▸ ROCK1 Q13464 1/20 0.50
▸ RAF1 P04049 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ RET P07949 1/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ FLT1 P17948 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ MAPK14 Q16539 1/20 0.47
▸ ABL1 P00519 1/20 0.47

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
SCHEMBL15850136 0.89 TTK (0.80) TTKITKAURKBINCENPAURKA
SCHEMBL10062826 0.89 ITK (0.69) TTKITKAURKBINCENPAURKA
SCHEMBL10062872 0.85 TTK (0.79) TTKITKAURKBINCENPAURKA
SCHEMBL10062857 0.84 ITK (0.71) TTKITKAURKBINCENPAURKA
SCHEMBL10062823 0.84 TTK (0.79) TTKITKAURKBINCENPAURKA
SCHEMBL15850254 0.82 ITK (0.78) TTKITKAURKBINCENPAURKA
SCHEMBL10062814 0.81 ITK (1.00) TTKITKAURKBINCENPAURKA
SCHEMBL10062822 0.81 ITK (1.00) TTKITKAURKBINCENPAURKA
SCHEMBL10062853 0.81 ITK (0.76) TTKITKAURKBINCENPAURKA
SCHEMBL15850097 0.81 ITK (0.76) TTKITKAURKBINCENPAURKA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 — — US disclosed
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 — — US disclosed
US-8338597-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-25 — — US disclosed
US-8338597-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-25 — — US disclosed
US-20120190699-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-26 — — US disclosed
US-20120190699-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-26 — — US disclosed
US-8101770-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-24 — — US disclosed
US-8101770-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-24 — — 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 (2 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-20120190699-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 TTK 242/4885ITK 393/4885AURKB 167/4885
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 TTK 242/4885ITK 393/4885AURKB 167/4885

“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.