SCHEMBL395849

SCHEMBL395849

COc1ncc(I)cc1NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TACR3 P29371 1/20 0.47
POLB P06746 1/20 0.46
KMT2A Q03164 2/20 0.46
MGLL Q99685 2/20 0.45
MAOB P27338 1/20 0.45
FAAH O00519 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ROCK2 O75116 1/20 0.42
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
PLAU P00749 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
MAP4K1 Q92918 1/20 0.41
CASP3 P42574 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL16941896 0.84 NPC1 (0.52) NPC1RAB9ATACR3POLBMGLL
SCHEMBL27449720 0.81 NPC1 (0.49) NPC1RAB9ATACR3POLBMGLL
SCHEMBL397013 0.81 NPC1 (0.45) NPC1RAB9ATACR3POLBKMT2A
SCHEMBL3105408 0.80 RAB9A (0.60) NPC1RAB9ATACR3POLBKMT2A
SCHEMBL31480591 0.76 NPC1 (0.54) NPC1RAB9ATACR3POLBKMT2A
SCHEMBL395760 0.76 TACR3 (0.46) NPC1RAB9ATACR3POLBKMT2A
SCHEMBL27401772 0.74 KMT2A (0.53) NPC1RAB9ATACR3POLBKMT2A
SCHEMBL15850141 0.74 HCAR2 (0.45) POLBMAOB
SCHEMBL31480389 0.74 NPC1 (0.55) NPC1RAB9ATACR3POLBMGLL
SCHEMBL17420472 0.72 NPC1 (0.68) NPC1RAB9APOLBMGLLMAOB

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150328227-A1 ARYLPYRIDINONE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ACLARIS THERAPEUTICS, INC. 2015-11-19 US disclosed
US-20150328227-A1 ARYLPYRIDINONE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ACLARIS THERAPEUTICS, INC. 2015-11-19 US disclosed
US-9145393-B2 Arylpyridinone ITK inhibitors for treating inflammation and cancer CONFLUENCE LIFE SCIENCES, INC. (US) 2015-09-29 US disclosed
US-9145393-B2 Arylpyridinone ITK inhibitors for treating inflammation and cancer CONFLUENCE LIFE SCIENCES, INC. (US) 2015-09-29 US disclosed
US-20150210671-A1 ARYLPYRIDINONE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ACLARIS THERAPEUTICS, INC. 2015-07-30 US disclosed
US-20150210671-A1 ARYLPYRIDINONE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ACLARIS THERAPEUTICS, INC. 2015-07-30 US disclosed
WO-2015112847-A1 ARYLPYRIDINONE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER CONFLUENCE LIFE SCIENCES, INC. (US) 2015-07-30 WO disclosed
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-7786130-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
EP-1919906-A1 3, 5-DISUBSTITUTED PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY OF NON-RECEPTOR TYROSINE KINASES Vertex Pharmaceuticals Incorporated (US) 2008-05-14 EP disclosed
EP-1831168-A1 PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY PROTEIN KINASES FOR THE TREATMENT OF INFLAMMATORY, PROLIFERATIVE AND IMMUNOLOGICALLY-MEDIATED DISEASES. Vertex Pharmaceuticals Incorporated (US) 2007-09-12 EP disclosed
US-20070179156-A1 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
US-20070179156-A1 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
US-20070179156-A1 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
WO-2007027729-A1 3, 5-DISUBSTITUTED PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY OF NON-RECEPTOR TYROSINE KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-08 WO disclosed
WO-2007027729-A1 3, 5-DISUBSTITUTED PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY OF NON-RECEPTOR TYROSINE KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-08 WO disclosed
US-20060183911-A1 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2006-08-17 US disclosed
WO-2006065946-A1 PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY PROTEIN KINASES FOR THE TREATMENT OF INFLAMMATORY, PROLIFERATIVE AND IMMUNOLOGICALLY-MEDIATED DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-22 WO 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 (5 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-20060183911-A1 Pyridones useful as inhibitors of kinases MAP3K20, MAP3K6, MAP3K5 NPC1 3807/4885RAB9A 2870/4885TACR3 3640/4885
US-20150210671-A1 ARYLPYRIDINONE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, PDXK, IRAK2 NPC1 4121/4885RAB9A 4066/4885TACR3 2664/4885
US-20150328227-A1 ARYLPYRIDINONE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, PDXK, IRAK2 NPC1 4121/4885RAB9A 4066/4885TACR3 2664/4885
US-20070179156-A1 Pyridones useful as inhibitors of kinases MAP3K20, MAP3K6, MAP3K5 NPC1 3761/4885RAB9A 2776/4885TACR3 3428/4885
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 NPC1 3807/4885RAB9A 2870/4885TACR3 3640/4885

“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.