SCHEMBL397013

SCHEMBL397013

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
DGAT1 O75907 2/20 0.44
ALPL P05186 1/20 0.44
PDGFRB P09619 1/20 0.43
KDR P35968 1/20 0.43
TACR3 P29371 1/20 0.42
MGLL Q99685 2/20 0.42
FAAH O00519 1/20 0.42
MAOB P27338 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
MAP4K1 Q92918 1/20 0.39
TSHR P16473 1/20 0.39
FSHR P23945 1/20 0.39
CASP3 P42574 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL393499 0.82 ALPL (0.40) DGAT1ALPLPDGFRBKDRKMT2A
SCHEMBL12772940 0.82 NPC1 (0.51) NPC1RAB9ADGAT1MGLLFAAH
SCHEMBL16929664 0.81 ALPL (0.44) DGAT1ALPLPDGFRBKDRHIF1A
SCHEMBL395849 0.81 NPC1 (0.52) NPC1RAB9ATACR3MGLLFAAH
SCHEMBL5785397 0.81 NPC1 (0.47) NPC1RAB9ATACR3MGLLFAAH
SCHEMBL31480254 0.80 NPC1 (0.46) NPC1RAB9ATACR3MGLLMAOB
SCHEMBL3513930 0.79 ALPL (0.44) DGAT1ALPLPDGFRBKDRHIF1A
SCHEMBL29789810 0.79 POLB (0.51) NPC1RAB9ADGAT1PDGFRBKDR
SCHEMBL28822828 0.79 POLB (0.51) NPC1RAB9ADGAT1PDGFRBKDR
SCHEMBL15116265 0.78 NPC1 (0.46) NPC1RAB9ADGAT1MGLLFAAH

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 29 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
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
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 (4 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-20150210671-A1 ARYLPYRIDINONE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, PDXK, IRAK2 NPC1 4121/4885RAB9A 4066/4885DGAT1 3955/4885
US-20150328227-A1 ARYLPYRIDINONE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, PDXK, IRAK2 NPC1 4121/4885RAB9A 4066/4885DGAT1 3955/4885
US-20070179156-A1 Pyridones useful as inhibitors of kinases MAP3K20, MAP3K6, MAP3K5 NPC1 3761/4885RAB9A 2776/4885DGAT1 4494/4885
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 NPC1 3807/4885RAB9A 2870/4885DGAT1 4419/4885

“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.