SCHEMBL10062869

SCHEMBL10062869

O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1csc(-c2ccncc2)n1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITK Q08881 10/20 0.62
TTK P33981 4/20 0.62
AURKB Q96GD4 3/20 0.62
INCENP Q9NQS7 3/20 0.62
AURKA O14965 2/20 0.62
KIT P10721 3/20 0.57
SRC P12931 3/20 0.57
FLT3 P36888 3/20 0.57
LMNA P02545 2/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CDC25A P30304 1/20 0.53
CDC25B P30305 1/20 0.53
MAPK1 P28482 1/20 0.52
GPR142 Q7Z601 2/20 0.52
CHEK1 O14757 1/20 0.52

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
SCHEMBL10062881 0.95 MAPT (0.61) ITKTTKAURKBINCENPAURKA
SCHEMBL10062843 0.81 ITK (0.75) ITKTTKAURKBINCENPAURKA
SCHEMBL10062847 0.79 ITK (0.68) ITKTTKAURKBINCENPAURKA
SCHEMBL10062837 0.77 ITK (0.78) ITKTTKAURKBINCENPAURKA
SCHEMBL11456925 0.77 ITK (0.73) ITKTTKAURKBINCENPAURKA
SCHEMBL10062813 0.77 ITK (0.79) ITKTTKAURKBINCENPAURKA
SCHEMBL10062814 0.77 ITK (1.00) ITKTTKAURKBINCENPAURKA
SCHEMBL11450045 0.76 ITK (0.68) ITKTTKAURKBINCENPAURKA
SCHEMBL10062864 0.76 ITK (0.80) ITKTTKAURKBINCENPAURKA
SCHEMBL10062848 0.75 ITK (0.67) ITKTTKAURKBINCENPAURKA

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 ITK 393/4885TTK 242/4885AURKB 167/4885
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 ITK 393/4885TTK 242/4885AURKB 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.