SCHEMBL10063170

SCHEMBL10063170

CC(CCc1ccccc1)NC(=O)c1cc(-c2ccncc2)c[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
LMNA P02545 1/20 0.51
GPR142 Q7Z601 5/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
HPGD P15428 2/20 0.50
ATM Q13315 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ITK Q08881 2/20 0.48
AURKA O14965 1/20 0.48
TTK P33981 1/20 0.48
AURKB Q96GD4 1/20 0.48
INCENP Q9NQS7 1/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
ALK Q9UM73 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
SCHEMBL15116264 1.00 POLB (0.51) POLBLMNAGPR142KMT2AMEN1
SCHEMBL15116262 0.83 ITK (0.50) LMNAGPR142KMT2AMEN1HPGD
SCHEMBL10063158 0.83 ITK (0.50) LMNAGPR142KMT2AMEN1HPGD
SCHEMBL10063108 0.81 GPR142 (0.57) GPR142SMN1; SMN2ITKAURKATTK
SCHEMBL15116260 0.80 ROCK2 (0.64) GPR142ITKAURKATTKAURKB
SCHEMBL10063152 0.80 ROCK2 (0.64) GPR142ITKAURKATTKAURKB
SCHEMBL10063136 0.80 MCL1 (0.57) POLBGPR142HPGDHTTSMN1; SMN2
SCHEMBL10063122 0.79 ROCK2 (0.59) LMNAGPR142HPGDITKAURKA
SCHEMBL10063145 0.79 ITK (0.51) LMNAGPR142KMT2AMEN1HPGD
SCHEMBL3101750 0.79 KMT2A (0.77) LMNAKMT2AMEN1HPGDHTT

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 POLB 1175/4885LMNA 1545/4885GPR142 4660/4885
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 POLB 1175/4885LMNA 1545/4885GPR142 4660/4885

“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.