SCHEMBL10062891

SCHEMBL10062891

CN1CCN(c2ccc(C(=O)Nc3cc(-c4ccncc4)c[nH]c3=O)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TTK P33981 5/20 1.00
AURKB Q96GD4 4/20 1.00
INCENP Q9NQS7 4/20 1.00
AURKA O14965 3/20 1.00
ITK Q08881 17/20 0.83
SRC P12931 10/20 0.81
FLT3 P36888 10/20 0.81
KIT P10721 9/20 0.81

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
SCHEMBL10062894 0.91 ITK (0.84) TTKAURKBINCENPAURKAITK
SCHEMBL10062890 0.91 ITK (1.00) TTKAURKBINCENPAURKAITK
SCHEMBL10062900 0.90 ITK (1.00) TTKAURKBINCENPAURKAITK
SCHEMBL10062888 0.90 ITK (1.00) TTKAURKBINCENPAURKAITK
SCHEMBL10062892 0.89 ITK (0.84) TTKAURKBINCENPAURKAITK
SCHEMBL10062893 0.89 ITK (0.84) TTKAURKBINCENPAURKAITK
SCHEMBL10063203 0.88 ITK (0.83) TTKAURKBINCENPAURKAITK
SCHEMBL10062901 0.86 TTK (0.75) TTKAURKBINCENPAURKAITK
SCHEMBL10062896 0.86 TTK (0.74) TTKAURKBINCENPAURKAITK
SCHEMBL10062915 0.85 ITK (0.85) TTKAURKBINCENPAURKAITK

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 242/4885AURKB 167/4885INCENP 1903/4885
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 TTK 242/4885AURKB 167/4885INCENP 1903/4885

“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.