SCHEMBL10062823

SCHEMBL10062823

CCOc1cccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 5/20 0.79
ITK Q08881 10/20 0.70
AURKB Q96GD4 4/20 0.67
INCENP Q9NQS7 4/20 0.67
AURKA O14965 3/20 0.67
LMNA P02545 1/20 0.62
HTT P42858 1/20 0.62
KIT P10721 3/20 0.60
SRC P12931 3/20 0.60
FLT3 P36888 3/20 0.60
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
ROCK2 O75116 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
ROCK1 Q13464 1/20 0.51

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 0.86 TTK (0.80) TTKITKAURKBINCENPAURKA
SCHEMBL10062872 0.85 TTK (0.79) TTKITKAURKBINCENPAURKA
SCHEMBL10062829 0.84 TTK (0.76) TTKITKAURKBINCENPAURKA
SCHEMBL10062853 0.83 ITK (0.76) TTKITKAURKBINCENPAURKA
SCHEMBL10062822 0.83 ITK (1.00) TTKITKAURKBINCENPAURKA
SCHEMBL15850254 0.82 ITK (0.78) TTKITKAURKBINCENPAURKA
SCHEMBL10062814 0.81 ITK (1.00) TTKITKAURKBINCENPAURKA
SCHEMBL15850097 0.81 ITK (0.76) TTKITKAURKBINCENPAURKA
SCHEMBL10062850 0.80 ITK (0.71) TTKITKAURKBINCENPAURKA
SCHEMBL10062866 0.80 ITK (0.74) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831168-B1 PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY PROTEIN KINASES FOR THE TREATMENT OF INFLAMMATORY, PROLIFERATIVE AND IMMUNOLOGICALLY-MEDIATED DISEASES. VERTEX PHARMA (US) 2014-07-02 EP disclosed
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.