SCHEMBL10063149

SCHEMBL10063149

O=C(NCCN1CCCC1)c1cc(-c2ccncc2)c[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITK Q08881 3/20 0.59
ALK Q9UM73 1/20 0.56
AURKA O14965 2/20 0.48
TTK P33981 2/20 0.48
AURKB Q96GD4 2/20 0.48
INCENP Q9NQS7 2/20 0.48
KIT P10721 1/20 0.48
SRC P12931 1/20 0.48
FLT3 P36888 1/20 0.48
MMP12 P39900 1/20 0.47
BRAF P15056 1/20 0.46
NAMPT P43490 2/20 0.45
APP P05067 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL10063182 0.99 ITK (0.60) ITKALKAURKATTKAURKB
SCHEMBL10063108 0.77 GPR142 (0.57) ITKALKAURKATTKAURKB
SCHEMBL10063174 0.77 ITK (0.52) ITKALKAURKATTKAURKB
SCHEMBL10063135 0.76 EPHX2 (0.57) ITKALKAURKATTKAURKB
SCHEMBL10063136 0.76 MCL1 (0.57) ITKALKAURKATTKAURKB
SCHEMBL10063150 0.76 ITK (0.53) ITKALK
SCHEMBL10063148 0.75 ITK (0.55) ITKALKAURKATTKAURKB
SCHEMBL10063151 0.74 ITK (0.57) ITKALKAURKATTKAURKB
SCHEMBL10063122 0.74 ROCK2 (0.59) ITKALKAURKATTKAURKB
SCHEMBL10063186 0.74 ITK (1.00) ITKALKAURKATTKAURKB

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 393/4885ALK 581/4885AURKA 97/4885
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 ITK 393/4885ALK 581/4885AURKA 97/4885

“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.